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You are searching for "CFAMM00389470" in compound. Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
CFAM Mol ID | CFAMM00389470 |
Family | CFFBM8644 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid family |
Superfamily | CFSBM4594 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 12 |
Class | CFCID1105 Class 2455 |
External ID | CHEMBL278045 |
External Source | CHEMBL |
PubChem CID |
44324730 |
Functional Category |
Bioactive |
Molecule Name |
(2S)-3-[4-[2,6-bis(2-methylpropanoyloxy)phenyl]phenyl]-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]propanoic acid |
IUPAC Name |
(2S)-3-[4-[2,6-bis(2-methylpropanoyloxy)phenyl]phenyl]-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]propanoic acid |
Synonyms |
CHEBI:248568 |
InChi |
InChI=1S/C35H38Cl2N2O9S/c1-20(2)32(42)47-28-8-6-9-29(48-33(43)21(3)4)30(28)23-12-10-22(11-13-23)16-27(31(40)41)38-34(44)35(5)14-7-15-39(35)49(45,46)26-18-24(36)17-25(37)19-26/h6,8-13,17-21,27H,7,14-16H2,1-5H3,(H,38,44)(H,40,41)/t27-,35-/m0/s1 |
InChiKey |
ZYGZRMMSJAKXOS-UXCMTWRGSA-N |
Formula | C35H38Cl2N2O9S |
Molecular Weight | 733.66 |
Cross Link | CHEMBL278045 |
Structure |
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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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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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