General Information of the Compound
| Compound ID |
CP0452738
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| Compound Name |
(S)-2-(4-chlorophenyl)-N-(4,5-dimethylthiazol-2-yl)-3-methylbutanamide
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| Structure |
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| Formula |
C16H19ClN2OS
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| Molecular Weight |
322.861
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| Canonical SMILES |
CC(C)[C@H](C(=O)Nc1nc(C)c(C)s1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H19ClN2OS/c1-9(2)14(12-5-7-13(17)8-6-12)15(20)19-16-18-10(3)11(4)21-16/h5-9,14H,1-4H3,(H,18,19,20)/t14-/m0/s1
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| InChIKey |
QPBIRKGIGFUATD-AWEZNQCLSA-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