General Information of the Compound
| Compound ID |
CP0510721
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| Compound Name |
(S)-2-(4-chlorophenyl)-N-(5-(dimethylamino)thiazol-2-yl)-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C17H22ClN3OS
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| Molecular Weight |
351.903
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| Canonical SMILES |
CN(C)c1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)(C)C)s1
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| InChI |
InChI=1S/C17H22ClN3OS/c1-17(2,3)14(11-6-8-12(18)9-7-11)15(22)20-16-19-10-13(23-16)21(4)5/h6-10,14H,1-5H3,(H,19,20,22)/t14-/m0/s1
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| InChIKey |
JVYOCTMKSMPLTP-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