CFam Chemical Families Database
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You are searching for "CFAMM00430753" in compound.

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CFAM Mol ID CFAMM00430753
Family CFFBM14865 Mu-type opioid receptor and Kappa-type opioid receptor ligand 1-[[(3S)-2-[[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-phenylurea family
Superfamily CFSBM5518 Mu-type opioid receptor and Delta-type opioid receptor Binder Superfamily 10
Class CFCCD537 Class 1350
External ID CHEMBL418241 External Source CHEMBL
PubChem CID 44286906 Functional Category Bioactive
Molecule Name 1-[[(3S)-2-[[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-phenylurea
IUPAC Name 1-[[(3S)-2-[[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-phenylurea
Synonyms CHEBI:158950
InChi InChI=1S/C31H37N5O2S/c1-38-29-15-7-9-23(17-29)21-35-16-8-14-27(35)19-33-31(39)36-22-25-11-6-5-10-24(25)18-28(36)20-32-30(37)34-26-12-3-2-4-13-26/h2-7,9-13,15,17,27-28H,8,14,16,18-22H2,1H3,(H,33,39)(H2,32,34,37)/t27-,28+/m1/s1
Formula C31H37N5O2S Molecular Weight 543.72
Cross Link CHEMBL418241

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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