General Information of the Compound
| Compound ID |
CP0521387
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| Compound Name |
(S)-2-(4-chlorophenyl)-3-methyl-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
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| Structure |
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| Formula |
C14H13ClF3N3OS
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| Molecular Weight |
363.792
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| Canonical SMILES |
CC(C)[C@H](C(=O)Nc1nnc(s1)C(F)(F)F)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C14H13ClF3N3OS/c1-7(2)10(8-3-5-9(15)6-4-8)11(22)19-13-21-20-12(23-13)14(16,17)18/h3-7,10H,1-2H3,(H,19,21,22)/t10-/m0/s1
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| InChIKey |
SNCUQVBDLZJLLC-JTQLQIEISA-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