CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00157286" 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 CFAMM00157286
Family CFFCD421 Substance-P receptor Ligand Ezlopitant Family
Superfamily CFSCD383 Substance-P receptor Ligand Ezlopitant Superfamily
Class CFCAD120 Class 120
External ID CHEMBL226024 External Source CHEMBL
PubChem CID 44423449 Functional Category Bioactive
Molecule Name 1-tert-butyl-4-[1-(4-fluorophenyl)-2-[4-[4-(2-methoxynaphthalen-1-yl)butyl]piperazin-1-yl]ethyl]piperazine
IUPAC Name 1-tert-butyl-4-[1-(4-fluorophenyl)-2-[4-[4-(2-methoxynaphthalen-1-yl)butyl]piperazin-1-yl]ethyl]piperazine
Synonyms CHEBI:478937
InChi InChI=1S/C35H49FN4O/c1-35(2,3)40-25-23-39(24-26-40)33(29-12-15-30(36)16-13-29)27-38-21-19-37(20-22-38)18-8-7-11-32-31-10-6-5-9-28(31)14-17-34(32)41-4/h5-6,9-10,12-17,33H,7-8,11,18-27H2,1-4H3
Formula C35H49FN4O Molecular Weight 560.79
Cross Link CHEMBL226024

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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