General Information of the Compound
| Compound ID |
CP0536258
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| Compound Name |
5-Chloro-N3-(4- fluoro-3- (trifluoro- methyl)phenyl) benzo[b] thiophene-2,3- diamine
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| Structure |
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| Formula |
C15H9ClF4N2S
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| Molecular Weight |
360.763
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| Canonical SMILES |
Nc1sc2ccc(Cl)cc2c1Nc1ccc(F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H9ClF4N2S/c16-7-1-4-12-9(5-7)13(14(21)23-12)22-8-2-3-11(17)10(6-8)15(18,19)20/h1-6,22H,21H2
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| InChIKey |
PDTLCMGRFOOBKI-UHFFFAOYSA-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