General Information of the Compound
| Compound ID |
CP0522835
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| Compound Name |
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1H-imidazole-5-carboxamide
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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 |
CCN1CCCC1CNC(=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/c1-2-39-12-4-5-20(39)17-36-25(42)23-22(18-7-9-19(10-8-18)27(29,30)31)37-26(38-23)41-15-13-40(14-16-41)24-21(28(32,33)34)6-3-11-35-24/h3,6-11,20H,2,4-5,12-17H2,1H3,(H,36,42)(H,37,38)
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| InChIKey |
ARPWLKSAHLVWRY-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