General Information of the Compound
| Compound ID |
CP0107157
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| Compound Name |
phenyl-[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C27H24F3N3O
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| Molecular Weight |
463.503
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)-n1cc(CN2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C27H24F3N3O/c28-27(29,30)22-9-6-10-23(17-22)33-19-21(24-11-4-5-12-25(24)33)18-31-13-15-32(16-14-31)26(34)20-7-2-1-3-8-20/h1-12,17,19H,13-16,18H2
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| InChIKey |
DPQARZPMIQSQSR-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