CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00306803" in compound.

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CFAM Mol ID CFAMM00306803
Family CFFBM77 Integrin beta-1 and Integrin alpha-4 inhibitor (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-[3-methoxypropyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]amino]propanoic acid family
Superfamily CFSID2854 Genome polyprotein Inhibitor Azapeptide Derivative Superfamily
Class CFCCD141 Class 954
External ID CHEMBL2206587 External Source CHEMBL
PubChem CID 71452454 Functional Category Bioactive
Molecule Name propan-2-yl 4-[[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazin-4-ium-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
IUPAC Name propan-2-yl 4-[[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazin-4-ium-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
InChi InChI=1S/C33H38N4O7/c1-22(2)44-32(40)25-7-9-26(10-8-25)34-33(41)35-28(18-23-4-11-27(38)12-5-23)31(39)36-14-16-37(3,17-15-36)20-24-6-13-29-30(19-24)43-21-42-29/h4-13,19,22,28H,14-18,20-21H2,1-3H3,(H2-,34,35,38,40,41)/p+1/t28-/m0/s1
Formula C33H39N4O7 Molecular Weight 603.69
Cross Link CHEMBL2206587

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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National University of Singapore, Singapore

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