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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NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1 -
Cc1ccc(C(=O)C(=O)c2ccccc2)cc1C -
3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl propanoate PubChem CID 10662370
C=CCc1cc(OC(=O)CC)ccc1OCCCNC(C)C -
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C.CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C -
3-[4-(4-Bromophenyl)phenyl]-octahydro-1,4-pyrido[2,1-c]oxazine-3-ol PubChem CID 25108303
OC1(c2ccc(-c3ccc(Br)cc3)cc2)CN2CCCCC2CO1 -
benzyl N-[1-[[1-[(2-hydroxy-2-phenylethyl)amino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate PubChem CID 44353781
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1 -
5-[1-CYCLOPENTYL-4-(4-FLUOROPHENYL)-1H-IMIDAZOL-5-YL]-N-(3,5-DIMETHOXYPHENYL)FURAN-2-CARBOXAMIDE PubChem CID 53115212
COc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OC)c1 -
3-hydroxy-3,4-dimethylpentyl phosphanylidenephosphinite PubChem CID 56947005
CC(C)C(C)(O)CCOP=P -
1-Phosphono-4-(9-ethylcarbazole-3-yl)butylsulfonic Acid Tripotassium Salt PubChem CID 56947058
CCn1c2ccccc2c2cc(CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-])ccc21 -
2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline PubChem CID 70648564
Cn1cc(-c2ccccc2)nc1CCc1ccc2ccccc2n1 -
US11111270, Compound 18 PubChem CID 90201960
CC(=O)N(C)[C@@H](C)C(=O)N[C@H]1CCCN(C(C)=O)[C@H]2CCC(C(=O)Nc3cccc4ccccc34)N2C1=O -
1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea PubChem CID 118395965
CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1 -
US20240317663, Compound IV PubChem CID 172446872
C[C@@H]1/C(=C/C=C2C[C@@H](O)C[C@H](O)C2)CCC[C@H]1c1cccc(OCCCC(C)(C)O)c1 -
10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl]amino]-6-oxopyridin-3-yl]pyridin-2-yl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one CAS 2696450-27-6 PubChem CID 163196313
C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(-n4ccn5c6c(cc5c4=O)CC(C)(C)C6)c3CO)cn(C)c2=O)nc1 -
Allopurinol Imp. E (EP); Allopurinol USP Related Compound E; Allopurinol USP RC E; Ethyl 5-(Formylamino)-1H-pyrazole-4-carboxylate; Allopurinol Related Compound E; Allopurinol Impurity E CAS 31055-19-3 PubChem CID 13926581
CCOC(=O)c1cn[nH]c1NC=O -
Carbamic Acid Phenethyl Ester; NSC 31196; USP Felbamate Related Compound B; CAS 6326-19-8 PubChem CID 233105
NC(=O)OCCc1ccccc1 -
Cl.Fc1ccc2c(C3CCNCC3)noc2c1 -
2(1H)-Quinolinone, 3,4-dihydro-7-(4-hydroxybutoxy)-; 7-(4-Hydroxybutoxy)-3,4-dihydroquinolin-2(1H)-one; 3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone; Aripiprazole Related Compound B; Aripiprazole Related Compound B CAS 889443-20-3 PubChem CID 71316195
O=C1CCc2ccc(OCCCCO)cc2N1 -
O=S(=O)([O-])Oc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1.[Na+] -
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol CAS 72-33-3 PubChem CID 4080
C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C