Compound Search
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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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2,4,6-Tris(hydroxy(oxido)amino)phenol compound with (3-(((3-((dimethylamino)methyl)bicyclo(2.2.1)hept CAS 7497-33-8 PubChem CID 498222
CN(C)CC1C2C=CC(C2)C1COCC1C2C=CC(C2)C1CN(C)C.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 -
ZINC Compound 792949; 4-Chloro-3-[[(3-nitrophenyl)amino]sulfonyl]-benzoic acid CAS 412940-35-3 PubChem CID 1079025
O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 -
3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid; 3-Cyclopropylmethoxy-4-difluoromethoxybenzoic CAS 162401-62-9 PubChem CID 2394006
O=C(O)c1ccc(OC(F)F)c(OCC2CC2)c1 -
Perchloric acid compound with N-(3-(2,5-dimethyl-3H-pyrrol-3-ylidene)-3H-1,2,4-dithiazol-5-yl)-N,N-dimethylamine PubChem CID 3005581
CC1=C/C(=C2\N=C(N(C)C)SS2)C(C)=N1 -
7-(3-(Aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine CAS 210353-53-0 PubChem CID 3055173
CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O -
(S)-7-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-ss-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy- CAS 11013-97-1 PubChem CID 5284419
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC -
3-[(E)-2-(3,4,5-Trimethoxy-phenyl)-vinyl]-pyridine; compound with 3-bromo-propionic acid methyl ester PubChem CID 5388745
COc1cc(/C=C/c2cccnc2)cc(OC)c1OC -
1-(3-carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid compound with strychnidin-10-one (1:1) PubChem CID 5458343
Cc1cc(C(=O)O)c(C)n1-c1cccc(C(=O)O)c1.O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46 -
N-((3-Chloro-8-methoxy-11H-indolo[3,2-c]quinolin-7-yl)methyl)-N,N-diethylamine compound with N-((3-chloro PubChem CID 5464845
CCN(CC)Cc1c(OC)ccc2[nH]c3c4ccc(Cl)cc4ncc3c12.CCN(CC)Cc1cc2[nH]c3c4ccc(Cl)cc4ncc3c2cc1OC -
(Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(3S)-3-hydroxy-3-methyl-1-octenyl)cyclopentyl)-5-heptenoic CAS 58551-69-2 PubChem CID 6434572
CCCCC[C@](C)(O)/C=C\C1[C@@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O.NC(CO)(CO)CO -
(E)-2-(4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethan-1-ol compound with CAS 76391-77-0 PubChem CID 6438809
CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21.OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 -
Diethyl-(2-{4-[(E)-1-(4-methoxy-phenyl)-2-phenyl-vinyl]-phenoxy}-ethyl)-amine; compound with 3-carboxy CAS 13542-71-7 PubChem CID 6444624
CCN(CC)CCOc1ccc(/C(=C/c2ccccc2)c2ccc(OC)cc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O -
4-(4-(3-(4-(Dimethylamino)phenyl)allylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic CAS 94266-10-1 PubChem CID 6445541
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\C=C\c1ccc(N(C)C)cc1.c1ccncc1 -
4-[3-[4-(dimethylamino)phenyl]allylidene]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic CAS 94266-13-4 PubChem CID 6445545
CN(C)c1ccc(/C=C/C=C2\C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C(=O)O)cc1.c1ccncc1 -
Dimethyl-[3-phenyl-3-(4-phenyl-piperazin-1-yl)-propyl]-amine; compound with (Z)-but-2-enedioic acid CAS 81402-40-6 PubChem CID 6448111
CN(C)CCC(c1ccccc1)N1CCN(c2ccccc2)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O -
2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide CAS 154127-19-2 PubChem CID 6604454
CCN[C@@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 -
S-Methyl 5-(benzylthio)-2-(((methylthio)carbonyl)imino)-1,3,4-thiadiazole-3(2H)-carbothioate compound PubChem CID 9578794
CCC(=O)N=c1sc(SCc2ccccc2)nn1C(=O)SC.CSC(=O)/N=c1\sc(SCc2ccccc2)nn1C(=O)SC -
(S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetylamino}-2-(3,5-dimethyl-isoxazole PubChem CID 9812185
Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)O -
[3-(3,4-Dimethoxy-phenyl)-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}- PubChem CID 9832306
CCOc1cc(C(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(OC)c(OC)c3)C2)cc(OCC)c1OCC -
(S)-3-{2-[(S)-3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetylamino}-2-(3,5-dimethyl-isoxazole PubChem CID 9848512
Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)O