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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CC1[C@@H]2CC=C3[C@H]4CCC5Cc6nc7c(nc6C[C@@]5(C)C4CC(=O)[C@]32CO[C@]12OC(C)(C)CC2O)CC1CC[C@@H]2C3=C[C@H]4O[C@@]5(O[C@@](C)(CO)C[C@@H]5O)C(C)[C@@]4(O)[C@]3(C)[C@@H](O)CC2[C@]1(C)C7 -
(1S,3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-[(1R)-1-[3-(2-methylpropyl)oxiran-2-yl]ethyl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol PubChem CID 21577172
CC(C)CC1OC1[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C -
(S)-4-Ethyl-4,10-dihydroxy-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione CAS 67656-30-8 PubChem CID 135403790
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(O)cccc3nc2-1 -
5-ethyl-7,7,16-trimethyl-5,11,14,15-tetraazapentacyclo(10.8.0.0^(2,10).0^(4,8).0^(13,17))icosa-1(12),2(10),3,8,13(17),15-hexaen-6-one CAS 925218-37-7 PubChem CID 135564980
CCN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1c-4n[nH]c1C -
17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione CAS 72-23-1 PubChem CID 6290
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C(C(=O)CO)CCC12 -
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS 64-85-7 PubChem CID 223578
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12 -
(1R,3aS,3bS,9aR,9bS,10S,11aS)-1-[(1S)-1,2-dihydroxyethyl]-1,10-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one CAS 1719-79-5 PubChem CID 256288
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO -
{5-[(5-NITRO-2-PYRIDYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL}METHYL PHENYL ETHER CAS 345989-24-4 PubChem CID 1327659
O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)nc1 -
6,9-Methano-5H-pyrido(1',2':1,2)azepino(4,5-b)indole-6-carboxylic acid, 3-(14-carboxy-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-3-methyl-2,6-methano-1H-azecino(5,4-b)indol-8-yl)-7-ethyl-6,6a,7,8,9,10,12,13-octahydro-2-methoxy-, dimethyl ester CAS 3371-85-5 PubChem CID 5371246
C/C=C1/CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4[nH]c5c(c4cc3OC)CCN3CC4CC(CC)C3C5(C(=O)OC)C4)CC1C2C(=O)OC -
(3S,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one CAS 566-02-9 PubChem CID 11695962
C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)CC(=O)[C@@H]12 -
(6R)-6-((3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid CAS 105742-76-5 PubChem CID 57396921
CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O -
Cortisol-D4 (9,11,12, 12-D4) solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material CAS 73565-87-4 PubChem CID 71310687
[2H]C1([2H])[C@@]2(C)[C@@H](CCC2(O)C(=O)CO)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@]2([2H])[C@@]1([2H])O -
US10106508, Example 17 N-(4-Chloro-3-nitrophenyl)-5-(1-ethoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine (I-17) PubChem CID 122417695
CCOC(C)Oc1cc2ncnc(Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c2c1OCCO2 -
Methanesulfonamide, N-[(4S,4aR,7alpha,10alpha)-1,2,3,4,4a,5,7,8,9,10,16,17-dodecahydro-17-oxo-7,10-ethanopyrido[1,2-d][1,7,4]benzodioxaazacyclotridecin-4-yl]- CAS 2648347-56-0 PubChem CID 156417714
CS(=O)(=O)N[C@H]1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OC[C@@H]12 -
5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid CAS 63614-17-5 PubChem CID 6454660
CC(C)(C)NCC(O)COc1cccc2c1CCN(C=O)C2.CC(C)(C)NCC(O)COc1cccc2c1CCN(C=O)C2.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O -
InChI=1/C19H12N2O8/c22-19(23)12-9-17(28-15-5-1-13(2-6-15)20(24)25)11-18(10-12)29-16-7-3-14(4-8-16)21(26)27/h1-11H,(H,22,23) CAS 173550-33-9 PubChem CID 16760376
O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)cc(Oc2ccc([N+](=O)[O-])cc2)c1 -
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol CAS 83480-65-3 PubChem CID 21672570
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C -
COc1ccc2c(c1)OCC/C=C\CCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@H]31)S2(=O)=O -
6-{cis-4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-3-fluoro-piperidin-1-yl}-5-isopropyl-pyrimidin-4-ylamine PubChem CID 86267570
CC(C)c1c(N)ncnc1N1CC[C@@H](c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)[C@@H](F)C1 -
(R or S)-3-benzyl-5-(9- ethyl-8-(2- methylpyrimidin-5-yl)-9H- purin-6-yl)-3- methylindolin-2-one PubChem CID 131964683
CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)C(C)(Cc3ccccc3)C(=O)N4)ncnc21