General Information of the Compound
| Compound ID |
CP0457694
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| Compound Name |
(R)-2-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-ylamino)propanoic acid
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| Structure |
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| Formula |
C19H13ClF4N4O3S
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| Molecular Weight |
488.85
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| Canonical SMILES |
C[C@@H](Nc1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C19H13ClF4N4O3S/c1-8(17(30)31)26-15-12(20)5-9(6-25-15)16(29)28-18-27-13(7-32-18)10-3-2-4-11(14(10)21)19(22,23)24/h2-8H,1H3,(H,25,26)(H,30,31)(H,27,28,29)/t8-/m1/s1
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| InChIKey |
CKUZRSZSEGTVJO-MRVPVSSYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound