CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00326631" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00326631
Family CFFBM1711 Kappa-type opioid receptor and Mu-type opioid receptor ligand SureCN6627224 family
Superfamily CFSBM940 Kappa-type opioid receptor and Histamine H3 receptor Binder Superfamily
Class CFCBM369 Class 3419
External ID CHEMBL558814 External Source CHEMBL
PubChem CID 45265660 Functional Category Bioactive
Molecule Name (2S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperazine-2-carboxamide;hydrochloride
IUPAC Name (2S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperazine-2-carboxamide;hydrochloride
InChi InChI=1S/C31H48FN5O3.ClH/c1-30(2,3)35-29(40)31(23-8-6-5-7-9-23)14-17-37(18-15-31)28(39)25(20-22-10-12-24(32)13-11-22)34-27(38)26-21-33-16-19-36(26)4;/h10-13,23,25-26,33H,5-9,14-21H2,1-4H3,(H,34,38)(H,35,40);1H/t25-,26+;/m1./s1
Formula C31H49ClFN5O3 Molecular Weight 594.20
Cross Link CHEMBL558814

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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