CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00042397" in compound.

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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 CFAMM00042397
Family CFFAD239 5-hydroxytryptamine receptor 3A Ligand Granisetron Family
Superfamily CFSAD215 5-hydroxytryptamine receptor 3A Ligand Granisetron Superfamily
Class CFCAD208 Class 208
External ID CHEMBL481581 External Source CHEMBL
PubChem CID 44570087 Functional Category Bioactive
Molecule Name 1-[2-[(3S)-3-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-4-chloro-5-methylpyrazole-3-carboxamide
IUPAC Name 1-[2-[(3S)-3-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-4-chloro-5-methylpyrazole-3-carboxamide
Synonyms CHEBI:572753
InChi InChI=1S/C30H38ClN5O2/c1-4-6-16-34(17-7-5-2)30(38)28-27(31)21(3)36(33-28)26-15-11-10-14-25(26)29(37)35-20-23-13-9-8-12-22(23)18-24(35)19-32/h8-15,24H,4-7,16-20,32H2,1-3H3/t24-/m0/s1
Formula C30H38ClN5O2 Molecular Weight 536.11
Cross Link CHEMBL481581

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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