General Information of the Compound
| Compound ID |
CP0527728
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| Compound Name |
(R)-2-(4-(3-chloro-5-vinylpyridin-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 |
C26H20ClF6N5
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| Molecular Weight |
551.922
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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(C=C)cc1Cl
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| InChI |
InChI=1S/C26H20ClF6N5/c1-3-14-6-18(27)24(34-11-14)37-4-5-38(13(2)12-37)25-35-21-10-16(26(31,32)33)9-17(23(21)36-25)15-7-19(28)22(30)20(29)8-15/h3,6-11,13H,1,4-5,12H2,2H3,(H,35,36)/t13-/m1/s1
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| InChIKey |
VEHTYICSCHKEAY-CYBMUJFWSA-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