CFam Chemical Families Database
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You are searching for "CFAMM00296612" in compound.

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CFAM Mol ID CFAMM00296612
Family CFFID3722 Delta-type opioid receptor and Kappa-type opioid receptor Ligand Dmt-pro-emp-phe-nh2 Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL183278 External Source CHEMBL
PubChem CID 44391126 Functional Category Bioactive
Molecule Name 1-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
IUPAC Name 1-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
Synonyms CHEBI:403550
InChi InChI=1S/C45H54N6O7/c1-28-22-34(53)23-29(2)35(28)27-36(46)41(55)49-39(26-32-16-18-33(52)19-17-32)43(57)51-45(20-10-5-11-21-45)44(58)50-38(25-31-14-8-4-9-15-31)42(56)48-37(40(47)54)24-30-12-6-3-7-13-30/h3-4,6-9,12-19,22-23,36-39,52-53H,5,10-11,20-21,24-27,46H2,1-2H3,(H2,47,54)(H,48,56)(H,49,55)(H,50,58)(H,51,57)/t36-,37-,38-,39-/m0/s1
Formula C45H54N6O7 Molecular Weight 790.95
Cross Link CHEMBL183278

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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