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You are searching for "CFAMM00320169" 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 | CFAMM00320169 |
Family | CFFBM1153 Thymidylate synthase inhibitor (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid family |
Superfamily | CFSBM78 Thymidylate synthase Binder Superfamily |
Class | CFCCD440 Class 1253 |
External ID | CHEMBL367732 |
External Source | CHEMBL |
PubChem CID |
44381597 |
Functional Category |
Bioactive |
Molecule Name |
(2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid |
IUPAC Name |
(2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid |
Synonyms |
CHEBI:382701 |
InChi |
InChI=1S/C29H33N5O9.C2HF3O2/c1-15-12-23-20(27(39)31-16(2)30-23)13-18(15)14-34(3)19-6-4-17(5-7-19)26(38)33-22(29(42)43)8-10-24(35)32-21(28(40)41)9-11-25(36)37;3-2(4,5)1(6)7/h4-7,12-13,21-22H,8-11,14H2,1-3H3,(H,32,35)(H,33,38)(H,36,37)(H,40,41)(H,42,43)(H,30,31,39);(H,6,7)/t21-,22+;/m1./s1 |
InChiKey |
ASSQASKTDAFCGZ-NSLUPJTDSA-N |
Formula | C29H33N5O9.C2HF3O2 |
Molecular Weight | 709.62 |
Cross Link | CHEMBL367732 |
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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