CFam Chemical Families Database
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You are searching for "CFAMM00390226" in compound.

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CFAM Mol ID CFAMM00390226
Family CFFBM8749 Beta-secretase 1 inhibitor KMI-420 family
Superfamily CFSBM4629 Beta-secretase 1 Binder Superfamily
Class CFCAD695 Class 695
External ID CHEMBL1645517 External Source CHEMBL
PubChem CID 53322099 Functional Category Bioactive
Molecule Name 3-[[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxypropanoyl]amino]benzoic acid
IUPAC Name 3-[[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxypropanoyl]amino]benzoic acid
Synonyms CHEBI:1160649
InChi InChI=1S/C26H38N10O8/c1-12(2)8-17(22(39)29-11-18(37)23(40)30-15-7-5-6-14(9-15)26(43)44)31-24(41)19(13(3)4)32-21(38)16(27)10-28-25(42)20-33-35-36-34-20/h5-7,9,12-13,16-19,37H,8,10-11,27H2,1-4H3,(H,28,42)(H,29,39)(H,30,40)(H,31,41)(H,32,38)(H,43,44)(H,33,34,35,36)/t16-,17-,18?,19-/m0/s1
Formula C26H38N10O8 Molecular Weight 618.64
Cross Link CHEMBL1645517

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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