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You are searching for "CFAMM00381165" 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 | CFAMM00381165 |
Family | CFFBM7550 Prothrombin inhibitor (3R,6S,8aS)-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-8a-methyl-5-oxo-6-[2-(trifluoromethyl)quinolin-6-yl]-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide;hydrochloride family |
Superfamily | CFSBM243 Prothrombin and Coagulation factor X Binder Superfamily |
Class | CFCID726 Class 2076 |
External ID | CHEMBL170318 |
External Source | CHEMBL |
PubChem CID |
49796860 |
Functional Category |
Bioactive |
Molecule Name |
(3R,6S,8aS)-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-8a-methyl-5-oxo-6-[2-(trifluoromethyl)quinolin-6-yl]-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide;hydrochloride |
IUPAC Name |
(3R,6S,8aS)-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-8a-methyl-5-oxo-6-[2-(trifluoromethyl)quinolin-6-yl]-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide;hydrochloride |
Synonyms |
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InChi |
InChI=1S/C28H30F3N7O3S2.ClH/c1-27-9-8-17(15-4-6-18-16(13-15)5-7-21(36-18)28(29,30)31)25(41)38(27)20(14-43-27)23(40)37-19(3-2-10-35-26(32)33)22(39)24-34-11-12-42-24;/h4-7,11-13,17,19-20H,2-3,8-10,14H2,1H3,(H,37,40)(H4,32,33,35);1H/t17-,19?,20-,27-;/m0./s1 |
InChiKey |
XSWJLSCJZGXHEB-JNMRDGSYSA-N |
Formula | C28H31ClF3N7O3S2 |
Molecular Weight | 670.17 |
Cross Link | CHEMBL170318 |
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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Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
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National University of Singapore, Singapore
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