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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[13CH3][13CH2][13C](=O)C1=NCCC1 -
(2E)-2-[1-[2-(Cyclopropyl-d4)-1-(2-fluorophenyl)-2-oxoethyl]-4-mercapto-3-piperidinylidene]acetic Acid PubChem CID 71751947
[2H]C1([2H])C(C(=O)C(c2ccccc2F)N2CCC(S)/C(=C/C(=O)O)C2)C1([2H])[2H] -
(3-(2-(Dimethylamino)ethyl)-1-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1H-indol-5-yl)-N-methylmethanesulfonamide CAS 1391052-59-7 PubChem CID 71752305
CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)cn2Cc1ccc2[nH]cc(CCN(C)C)c2c1 -
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-Tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid CAS 252030-90-3 PubChem CID 71752331
[2H]C1([2H])C[C@@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H]2C[C@H](O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]32)C([2H])([2H])[C@@H]1O -
N,N,N-trimethyl-2-[(methylsulfonyl)thio]-ethanaminium-14C2 Bromide PubChem CID 71752819
C[N+](C)(C)[14CH2][14CH2]SS(C)(=O)=O.[Br-] -
(3S,11E)-3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one PubChem CID 71753015
[2H]C1([2H])CC/C=C/c2cc(O)cc(O)c2C(=O)O[C@@H](C)CCC([2H])([2H])C1([2H])O -
6-Chloro-5-[2-[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-1,3-dihydro-2H-indol-2-one Hydrochloride CAS 1246820-87-0 PubChem CID 71753022
Cl.O=C1Cc2cc(CCN3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)c(Cl)cc2N1 -
O=C(O)[C@H]1O[C@@H](OCCN(CCO)c2nc(N3CCCCC3)c3nc(N(CCO)CCO[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)nc(N4CCCCC4)c3n2)[C@H](O)[C@@H](O)[C@@H]1O -
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride CAS 63950-05-0 PubChem CID 73744469
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(N)C(O)C(C)O1.Cl -
[(1S,3R,4S,7S,8S)-4-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate CAS 149949-05-3 PubChem CID 73832047
CCC(C)(C)C(=O)OC1CC(C)C(O)C2=C1C(CCC1CC(O)CC(=O)O1)C(C)C=C2 -
CNc1ccc2c(c1O)C(O)=C1C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3CC1C2 -
CN(C)CCC=C1c2ccccc2COc2ccc(CC=O)cc21 -
Doxorubicin-13C,d3 (approximately 50% pure, contains unidentified salts) PubChem CID 76973088
[2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 -
NC=C1NC(=O)C(c2ccc(O)cc2)NC1=O -
Chlorpyriphos-methyl Desmethyl; Phosphorothioic acid, O-methyl O-(3,5,6-trichloro-2-pyridinyl) ester; O-Methyl O-(3,5,6-trichloro-2-pyridyl)phosphorothioate; O-Methyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate; O-(3,5,6-Trichloro-2-pyridinyl) O-methyl phosphorothioate; Chlorpyrifos-met CAS 58997-13-0 PubChem CID 85859588
COP(O)(=S)Oc1nc(Cl)c(Cl)cc1Cl -
(2R)-2-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]propanoic acid CAS 2171261-19-9 PubChem CID 90382871
C[C@@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O -
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid CAS 158196-35-1 PubChem CID 91312540
O=C1CC(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)cc(O)c21 -
(2R)-5-amino-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid CAS 158599-00-9 PubChem CID 91658851
NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O -
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,6R,14R,15R,16R)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]oxane-2-carboxylic acid CAS 469887-29-4 PubChem CID 91800110
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c5c4[C@@]3(CCN1)[C@H]2O5 -
Daridorexant; (S)-(2-(6-chloro-7-methyl-1H-benzo[d]imidazol-2-yl)-2-methylpyrrolidin-1-yl)(5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone CAS 1505484-82-1 PubChem CID 91801202
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1