General Information of the Compound
| Compound ID |
CP0490391
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| Compound Name |
(4-isopropylpiperazin-1-yl)(5-(4-(trifluoromethyl)phenyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-imidazol-4-yl)methanone
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| Structure |
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| Formula |
C28H31F6N7O
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| Molecular Weight |
595.592
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1[nH]c(nc1-c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C28H31F6N7O/c1-18(2)38-10-14-40(15-11-38)25(42)23-22(19-5-7-20(8-6-19)27(29,30)31)36-26(37-23)41-16-12-39(13-17-41)24-21(28(32,33)34)4-3-9-35-24/h3-9,18H,10-17H2,1-2H3,(H,36,37)
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| InChIKey |
JSDJLJREZXCISB-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