CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00438988" in compound.

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CFAM Mol ID CFAMM00438988
Family CFFBM16663 Urotensin-2 receptor ligand SureCN4431593 family
Superfamily CFSBM6139 Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor Binder Superfamily 7
Class CFCID108 Class 1458
External ID CHEMBL396443 External Source CHEMBL
PubChem CID 23728637 Functional Category Bioactive
Molecule Name SureCN4431593
IUPAC Name tert-butyl 4-[2-[[5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoyl]amino]ethyl]piperazine-1-carboxylate
Synonyms AGN-PC-048O1S;CHEBI:501384;tert-butyl 4-[2-[[5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoyl]amino]ethyl]piperazine-1-carboxylate
InChi InChI=1S/C33H44ClN5O5/c1-33(2,3)44-32(42)38-19-16-37(17-20-38)15-12-35-31(41)27-22-25(34)8-9-26(27)24-10-13-36(14-11-24)18-21-39-28-6-4-5-7-29(28)43-23-30(39)40/h4-9,22,24H,10-21,23H2,1-3H3,(H,35,41)
Formula C33H44ClN5O5 Molecular Weight 626.19
Cross Link CHEMBL396443

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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