General Information of the Compound
| Compound ID |
CP0528072
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| Compound Name |
methyl 4-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1H-imidazole-5-carboxylate
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| Structure |
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| Formula |
C22H19F6N5O2
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| Molecular Weight |
499.415
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| Canonical SMILES |
COC(=O)c1[nH]c(nc1-c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C22H19F6N5O2/c1-35-19(34)17-16(13-4-6-14(7-5-13)21(23,24)25)30-20(31-17)33-11-9-32(10-12-33)18-15(22(26,27)28)3-2-8-29-18/h2-8H,9-12H2,1H3,(H,30,31)
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| InChIKey |
NBKDYHQVHPQTED-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