General Information of the Compound
| Compound ID |
CP0902776
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| Compound Name |
1-{4-[(2-Difluoromethoxy-phenyl)-phenyl-methyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one
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| Structure |
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| Formula |
C33H32F2N2O2
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| Molecular Weight |
526.627
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| Canonical SMILES |
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2OC(F)F)CC1
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| InChI |
InChI=1S/C33H32F2N2O2/c34-33(35)39-30-19-11-10-18-28(30)32(27-16-8-3-9-17-27)37-22-20-36(21-23-37)31(38)24-29(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-19,29,32-33H,20-24H2
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| InChIKey |
BDLJJRBJTWUROT-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