CFam Chemical Families Database
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You are searching for "CFAMM00306772" in compound.

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CFAM Mol ID CFAMM00306772
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 ZINC12893948 External Source ZINC
PubChem CID 16408104 Functional Category Natural Product
Molecule Name (S)-N-(1-(benzo[d][1,3]dioxol-5-ylamino)-4-methyl-1-oxopentan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
IUPAC Name N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxopentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
Synonyms MolPort-000-845-773;ZINC12893948;MCULE-4929965751
InChi InChI=1S/C25H31N3O6/c1-15(2)9-19(24(29)26-18-5-6-20-23(12-18)34-14-33-20)27-25(30)28-8-7-16-10-21(31-3)22(32-4)11-17(16)13-28/h5-6,10-12,15,19H,7-9,13-14H2,1-4H3,(H,26,29)(H,27,30)/t19-/m0/s1
Formula C25H31N3O6 Molecular Weight 469.53
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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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