General Information of the Compound
| Compound ID |
CP0510720
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| Compound Name |
(S)-2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C15H15ClN2O3S
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| Molecular Weight |
338.816
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| Canonical SMILES |
CC(C)[C@H](C(=O)Nc1ncc(s1)C(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C15H15ClN2O3S/c1-8(2)12(9-3-5-10(16)6-4-9)13(19)18-15-17-7-11(22-15)14(20)21/h3-8,12H,1-2H3,(H,20,21)(H,17,18,19)/t12-/m0/s1
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| InChIKey |
OXKSUDBYPIQVBY-LBPRGKRZSA-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