General Information of the Compound
| Compound ID |
CP0009368
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| Compound Name |
3,3-diphenyl-1-[4-[phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C33H31F3N2O
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| Molecular Weight |
528.618
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| Canonical SMILES |
FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H31F3N2O/c34-33(35,36)30-19-11-10-18-28(30)32(27-16-8-3-9-17-27)38-22-20-37(21-23-38)31(39)24-29(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-19,29,32H,20-24H2
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| InChIKey |
MLTWOMDQQFOCMD-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