General Information of the Compound
| Compound ID |
CP0447711
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| Compound Name |
(S)-methyl 2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazole-5-carboxylate
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| Structure |
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| Formula |
C16H17ClN2O3S
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| Molecular Weight |
352.843
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| Canonical SMILES |
COC(=O)c1cnc(NC(=O)[C@@H](C(C)C)c2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C16H17ClN2O3S/c1-9(2)13(10-4-6-11(17)7-5-10)14(20)19-16-18-8-12(23-16)15(21)22-3/h4-9,13H,1-3H3,(H,18,19,20)/t13-/m0/s1
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| InChIKey |
FMHTWEXHAZHRHI-ZDUSSCGKSA-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