General Information of the Compound
| Compound ID |
CP0386523
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| Compound Name |
(R)-N-(5-chloro-6-(4-(4-(4-fluorophenyl)-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-3-methylpiperazin-1-yl)pyridin-3-yl)-2-hydroxyacetamide
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| Structure |
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| Formula |
C26H23ClF4N6O2
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| Molecular Weight |
562.955
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1ccc(F)cc1)c1ncc(NC(=O)CO)cc1Cl
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| InChI |
InChI=1S/C26H23ClF4N6O2/c1-14-12-36(24-20(27)10-18(11-32-24)33-22(39)13-38)6-7-37(14)25-34-21-9-16(26(29,30)31)8-19(23(21)35-25)15-2-4-17(28)5-3-15/h2-5,8-11,14,38H,6-7,12-13H2,1H3,(H,33,39)(H,34,35)/t14-/m1/s1
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| InChIKey |
FEHIRMWSAFWMRU-CQSZACIVSA-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