General Information of the Compound
| Compound ID |
CP0492780
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| Compound Name |
(S)-2-(4-Chloro-phenyl)-N-[5-(1,1-dioxo-1lambda*6*-thiomorpholin-4-yl)-thiazol-2-yl]-3,3-dimethyl-butyramide
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| Structure |
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| Formula |
C19H24ClN3O3S2
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| Molecular Weight |
442.006
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| Canonical SMILES |
CC(C)(C)[C@H](C(=O)Nc1ncc(s1)N1CCS(=O)(=O)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H24ClN3O3S2/c1-19(2,3)16(13-4-6-14(20)7-5-13)17(24)22-18-21-12-15(27-18)23-8-10-28(25,26)11-9-23/h4-7,12,16H,8-11H2,1-3H3,(H,21,22,24)/t16-/m0/s1
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| InChIKey |
JIGYQRKEQHMNGA-INIZCTEOSA-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