General Information of the Compound
| Compound ID |
CP0158382
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| Compound Name |
4-{trans-4-[4-(1H-Indol-3-yl)cyclohexyl]-piperazin-1-yl}-2-(trifluoromethyl)-1H-benzimidazole
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| Formula |
C26H28F3N5
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| Molecular Weight |
467.539
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| Canonical SMILES |
FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C26H28F3N5/c27-26(28,29)25-31-22-6-3-7-23(24(22)32-25)34-14-12-33(13-15-34)18-10-8-17(9-11-18)20-16-30-21-5-2-1-4-19(20)21/h1-7,16-18,30H,8-15H2,(H,31,32)/t17-,18-
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| InChIKey |
XZYMEGJUWOQMQM-IYARVYRRSA-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