General Information of the Compound
| Compound ID |
CP0451801
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| Compound Name |
(R)-2-(4-(5-bromo-3-chloropyridin-2-yl)-2-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]-imidazole
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| Structure |
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| Formula |
C24H17BrClF6N5
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| Molecular Weight |
604.78
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(Br)cc1Cl
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| InChI |
InChI=1S/C24H17BrClF6N5/c1-11-10-36(22-16(26)8-14(25)9-33-22)2-3-37(11)23-34-19-7-13(24(30,31)32)6-15(21(19)35-23)12-4-17(27)20(29)18(28)5-12/h4-9,11H,2-3,10H2,1H3,(H,34,35)/t11-/m1/s1
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| InChIKey |
JFKZAACOMOMDJO-LLVKDONJSA-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