CFam Chemical Families Database
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You are searching for "CFAMM00527964" in compound.

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CFAM Mol ID CFAMM00527964
Family CFFBM46489 Neuraminidase inhibitor AC1NQT84 family
Superfamily CFSBM2287 Neprilysin and Neuraminidase Binder Superfamily
Class CFCBM346 Class 3396
External ID CHEMBL418456 External Source CHEMBL
PubChem CID 5278592 Functional Category Bioactive
Molecule Name AC1NQT84
IUPAC Name (3R,4S)-3-[1-acetamido-2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
Synonyms Cyclopentane Amide deriv. 14l;(3R,4S)-3-[1-acetamido-2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid;3-[Acetylamino-(1-methyl-3-phenyl-propylcarbamoyl)-methyl]-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
InChi InChI=1S/C21H31N5O4/c1-12(8-9-14-6-4-3-5-7-14)24-19(28)18(25-13(2)27)16-10-15(20(29)30)11-17(16)26-21(22)23/h3-7,12,15-18H,8-11H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H4,22,23,26)/t12?,15?,16-,17-,18?/m0/s1
Formula C21H31N5O4 Molecular Weight 417.50
Cross Link CHEMBL418456

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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