General Information of the Compound
| Compound ID |
CP0451805
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| Compound Name |
4-(4-tert-butylphenyl)-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C28H27F6N5
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| Molecular Weight |
547.547
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1cc(cc2[nH]c(nc12)N1CCN(CC1)c1ncccc1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H27F6N5/c1-26(2,3)18-8-6-17(7-9-18)20-15-19(27(29,30)31)16-22-23(20)37-25(36-22)39-13-11-38(12-14-39)24-21(28(32,33)34)5-4-10-35-24/h4-10,15-16H,11-14H2,1-3H3,(H,36,37)
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| InChIKey |
XAEWSDMNYPRTQM-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