CFam Chemical Families Database
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You are searching for "CFAMM00299932" in compound.

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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 CFAMM00299932
Family CFFID3901 Mu-type opioid receptor and Nociceptin receptor Ligand Nociceptin Family
Superfamily CFSID1760 Chymase and Nociceptin receptor Binder Superfamily
Class CFCAD608 Class 608
External ID CHEMBL1802375 External Source CHEMBL
PubChem CID 56683331 Functional Category Bioactive
Molecule Name N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
IUPAC Name N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
Synonyms
InChi InChI=1S/C47H57N11O9/c48-41(62)35(24-30-14-5-1-6-15-30)56-43(64)34(22-13-23-51-47(49)50)55-45(66)37(26-32-18-9-3-10-19-32)57-46(67)38(29-59)58-44(65)36(25-31-16-7-2-8-17-31)54-40(61)28-52-39(60)27-53-42(63)33-20-11-4-12-21-33/h1-12,14-21,34-38,59H,13,22-29H2,(H2,48,62)(H,52,60)(H,53,63)(H,54,61)(H,55,66)(H,56,64)(H,57,67)(H,58,65)(H4,49,50,51)/t34-,35-,36-,37-,38-/m0/s1
InChiKey LSRUOTXCAFYCOJ-LQWITFIISA-N
Formula C47H57N11O9 Molecular Weight 920.02
Cross Link CHEMBL1802375
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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