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基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide CAS 2446803-65-0 PubChem CID 153616520
Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1 -
4-Piperidinemethanamine, 1-(5-isoquinolinylsulfonyl)-alpha-methyl-, (alphaS)- CAS 2146097-17-6 PubChem CID 137411001
C[C@H](N)C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 -
5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide CAS 66104-22-1 PubChem CID 47811
CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 -
InChI=1/C19H16N2O3/c1-23-17-10-14-8-9-21(19(22)13-6-4-3-5-7-13)16(12-20)15(14)11-18(17)24-2/h3-11,16H,1-2H CAS 35096-40-3 PubChem CID 314740
COc1cc2c(cc1OC)C(C#N)N(C(=O)c1ccccc1)C=C2 -
N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O -
(1R,3aS,3bS,7R,9aR,9bS,11aS)-11a-ethyl-1-ethynyl-10-methylidene-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol CAS 70805-84-4 PubChem CID 29981456
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC -
(3S,5S,8S,9S,10S,11S,13S,14S,17R)-17-((1R)-1,2-dihydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthrene-3,11,17-triol CAS 516-39-2 PubChem CID 90479551
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO -
(4S,6E,9S,10S,12E)-16-Methoxy-4-methyl-9,10,18-trihydroxy-3-oxabicyclo[12.4.0]octadecane-1(18),6,12,14,16-pentaene-2,8-dione CAS 1198574-97-8 PubChem CID 9799061
COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/C[C@H](C)OC2=O -
(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CAS 1801547-16-9 PubChem CID 91799297
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)C(C)(C)C)cc1 -
sulfuric acid methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.0^{2,10}.0^{4,9}.0^{13,18}]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate CAS 70674-90-7 PubChem CID 429464
CCC1=CC2CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13.O=S(=O)(O)O -
(2S)-5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--methyl 17alpha-hydroxy-20alpha-yohimban-16beta-carboxylate (1/1) CAS 93803-79-3 PubChem CID 44154284
COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@@H]1O.O=C1CC[C@@H](C(=O)O)N1 -
C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)NC3CCCCC3)CC[C@@H]12 -
BGB-290; (10aR)-2-Fluoro-5,8,9,10,10a,11-hexahydro-10a-methyl-5,6,7a,11-tetraazacyclohepta[def]cyclopenta[a]fluoren-4(7H)-one; (R)-2-Fluoro-10a-methyl-7,8,9,10,10a,11-hexahydro-5,6,7a,11-tetraazacyclohepta(def)cyclopenta[a]fluoren-4(5H)-one CAS 1446261-44-4 PubChem CID 135565554
C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34 -
InChI=1/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H CAS 1226-42-2 PubChem CID 71043
COc1ccc(C(=O)C(=O)c2ccc(OC)cc2)cc1 -
CC(=O)N[C@@H](CS)C(=O)O.CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C -
(2R,3S)-rel-3-Hydroxypyrrolidine-2-carboxylic acid compound with 2,2,2-trifluoroacetic acid (1:1) CAS 1788041-58-6 PubChem CID 134818456
O=C(O)C(F)(F)F.O=C(O)C1NCCC1O -
Diethylaminocarboxymethyl POC Tenofovir; ((((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(((isopropoxycarbonyl)oxy)methoxy)phosphoryl)oxy)methyl diethylcarbamate CAS 2747976-40-3 PubChem CID 165429051
CCC(CC)C(=O)OCOP(=O)(COC(C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C -
3-(2- (difluoromethyl) pyridin-4- yl)-5-(3- methoxy-1- (1- methylpiperidin- 4-yl)-1H- pyrazol-4-yl)- 1H- pyrrolo[2,3- b]pyridine PubChem CID 168167321
CN1CCC(n2cc(-c3cnc4[nH]cc(-c5cccc(C(F)F)c5)c4c3)c(F)n2)CC1 -
1-[(3R,5S,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone CAS 601-01-4 PubChem CID 101791
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO -
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.O=C(Nc1cccc2c(OC(=O)C(Cl)Cl)c(N=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(N=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl