Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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NCCN1CC23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C73C1c1ccccc1 -
48.15.1.151,65.03,12.05,10.014,63.016,61.018,27.020,25.029,59.031,57.033,42.035,40.044,55.046,53]heptahexaconta-1(66),3(12),4,6,8,10,14(63),15,18(27),19,21,23,25,29(59),30,33(42 PubChem CID 101859254
CCCCCCCCCCCc1c2c3cc4c1Cc1c(cc5c(c1CCCCCCCCCCC)Cc1c(cc6c(c1CCCCCCCCCCC)Cc1c(cc(c(c1CCCCCCCCCCC)C2)Oc1nc2ccccc2nc1O3)Oc1nc2ccccc2nc1O6)OP(N(C)C)O5)Oc1nc2ccccc2nc1O4 -
48.15.1.151,65.03,12.05,10.014,63.016,61.018,27.020,25.029,59.031,57.033,42.035,40.044,55.046,53]heptahexaconta-1(66),3(12),4,6,8,10,14(63),15,18(27),19,21,23,25,29(59),30,33(42 PubChem CID 101868106
CCCCCCCCCCCC1c2cc3c4cc2Oc2nc5ccccc5nc2Oc2cc5c(cc21)C(CCCCCCCCCCC)c1cc2c(cc1Oc1nc6ccccc6nc1O5)OP(N(C)C)Oc1cc(c(cc1C2CCCCCCCCCCC)C3CCCCCCCCCCC)Oc1nc2ccccc2nc1O4 -
aminoethyl)adamantan-1-yl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42 PubChem CID 102079422
COc1c2cc(C34C[C@@H]5C[C@@H](CC(CCN)(C5)C3)C4)cc1Cc1cc(C34C[C@@H]5C[C@@H](CC(CCN)(C5)C3)C4)cc(c1OC)Cc1cc(C34C[C@@H]5C[C@@H](CC(CCN)(C5)C3)C4)cc(c1OC)Cc1cc(C34C[C@@H]5C[C@@H](CC(CCN)(C5)C3)C4)cc(c1OC)Cc1cc(C34C[C@@H]5C[C@@H](CC(CCN)(C5)C3)C4)cc(c1OC)Cc1cc(C34C[C@@H]5C[C@@H](CC(CCN)(C5)C3)C4)cc(c1OC)C2 -
1H-imidazol-2-yl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42 PubChem CID 102102428
COc1c2cc(N=[N+]=[N-])cc1Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)Cc1cc(-n3nncc3CCCCN)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)Cc1cc(N=[N+]=[N-])cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)C2 -
1H-imidazol-2-yl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42 PubChem CID 102170536
COc1c2cc(-n3cc(CN(C)C)nn3)cc1Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)Cc1cc(-n3cc(CN(C)C)nn3)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)Cc1cc(-n3cc(CN(C)C)nn3)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)C2 -
methyl)-1H-1,2,3-triazol-1-yl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42 PubChem CID 102195320
COc1c2cc(-n3cc(CN(C)Cc4ccccn4)nn3)cc1Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)Cc1cc(-n3cc(CN(C)Cc4ccccn4)nn3)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)Cc1cc(-n3cc(CN(C)Cc4ccccn4)nn3)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)C2 -
tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42 PubChem CID 102351162
CCCCCCCCCCCCc1cc2c3cc(CCCCCCCCCCCC)cc4c5cc(CCCCCCCCCCCC)cc6c7cc(N(c8ccc(CCCCCCCC)cc8)c8ccc(CCCCCCCC)cc8)cc8c9cc(CCCCCCCCCCCC)cc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c%109)c1c%12%11 -
35.3.1.13,7.14,40.117,21.120,24.123,27]hexatetraconta-1,3(46),4,6,17(45),18,20(44),21,23(43),24,26,37(41),38,40(42 PubChem CID 102412810
NCCN1CCNCc2ccc3nc4ccc(cc4cc3c2)CNCCNCCNCc2ccc3nc4ccc(cc4cc3c2)CNCC1 -
tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42 PubChem CID 102522077
CCCCCCCCCCCCc1cc2c3cccc4c5cc(-c6ccc(OCCOCCOCCOC)cc6)cc6c7cc(-c8ccc(OCCOCCOCCSC(NC)NC)cc8)cc8c9cccc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c87)c(c%109)c1c%11%12 -
tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42 PubChem CID 132849152
COc1ccc(N(c2ccc(OC)cc2)c2cc3c4cc(-c5c(C)cc(C)cc5C)cc5c6cc(-c7c(C)cc(C)cc7C)cc7c8cc(Br)cc9c%10cc(-c%11c(C)cc(C)cc%11C)cc%11c%12cc(-c%13c(C)cc(C)cc%13C)cc%13c(c2)c3c2c(c54)c(c76)c(c89)c(c%10%11)c2c%12%13)cc1 -
tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42 PubChem CID 132849154
COc1ccc(N(c2ccc(OC)cc2)c2cc3c4cc(-c5c(C)cc(C)cc5C)cc5c6cc(-c7c(C)cc(C)cc7C)cc7c8cc(B(c9c(C)cc(C)cc9C)c9c(C)cc(C)cc9C)cc9c%10cc(-c%11c(C)cc(C)cc%11C)cc%11c%12cc(-c%13c(C)cc(C)cc%13C)cc%13c(c2)c3c2c(c54)c(c76)c(c89)c(c%10%11)c2c%12%13)cc1 -
1H-imidazol-2-yl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42 PubChem CID 177547727
COc1c2cc(Oc3ccc(-n4cc(CN(Cc5ccccn5)Cc5ccccn5)nn4)cc3)cc1Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(Oc3ccc(-n4cc(CN(Cc5ccccn5)Cc5ccccn5)nn4)cc3)cc(c1OCc1nccn1C)Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)Cc1cc(Oc3ccc(-n4cc(CN(Cc5ccccn5)Cc5ccccn5)nn4)cc3)cc(c1OCc1nccn1C)Cc1cc(C(C)(C)C)cc(c1OC)C2 -
1H-imidazol-2-yl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42 PubChem CID 177576314
COc1c2cc(-n3cc(CN(Cc4ccccn4)Cc4ccccn4)nn3)cc1Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(-n3cc(CN(Cc4ccccn4)Cc4ccccn4)nn3)cc(c1OCc1nccn1C)Cc1cc(C(C)(C)C)cc(c1OCc1nccn1C)Cc1cc(-n3cc(CN(Cc4ccccn4)Cc4ccccn4)nn3)cc(c1OCc1nccn1C)Cc1cc(C(C)(C)C)cc(c1OC)C2 -
2,2 ,2 ,2 ,2 ,2 -(Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexaoxy)hexakis(acetic acid ethyl) ester CAS 97600-45-8 PubChem CID 4105905
CCOC(=O)COc1c2cccc1Cc1cccc(c1OCC(=O)OCC)Cc1cccc(c1OCC(=O)OCC)Cc1cccc(c1OCC(=O)OCC)Cc1cccc(c1OCC(=O)OCC)Cc1cccc(c1OCC(=O)OCC)C2 -
4-Pyrimidinamine, N-[[4-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl]-6-[7-[3-(1-pyrrolidinyl)propoxy]imidazo[1,2-a]pyridin-3-yl]- CAS 2590556-80-0 PubChem CID 155587867
Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCCN6CCCC6)ccn45)ncn3)cc2)cn1 -
Revaprazan Hydrochloride; 2-Pyrimidinamine,4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-,hydrochloride CAS 178307-42-1 PubChem CID 204103
Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C.Cl -
N-(2-Chloro-4-methylthiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine--hydrogen chloride (1/1) CAS 51274-83-0 PubChem CID 39973
Cc1csc(Cl)c1NC1=NCCN1.Cl -
CNC(C)Cc1ccccc1.Cl -
4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLICACIDETHYLESTER CAS 1477-42-5 PubChem CID 15132
Cc1cccc2sc(N)nc12