General Information of the Compound
| Compound ID |
CP0447712
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| Compound Name |
(S)-N-(5-(4-chlorobenzyl)thiazol-2-yl)-2-(4-chlorophenyl)-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C22H22Cl2N2OS
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| Molecular Weight |
433.404
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| Canonical SMILES |
CC(C)(C)[C@H](C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22Cl2N2OS/c1-22(2,3)19(15-6-10-17(24)11-7-15)20(27)26-21-25-13-18(28-21)12-14-4-8-16(23)9-5-14/h4-11,13,19H,12H2,1-3H3,(H,25,26,27)/t19-/m0/s1
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| InChIKey |
NOWKUZZKNNMSNY-IBGZPJMESA-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