General Information of the Compound
| Compound ID |
CP0848372
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| Compound Name |
1-{4-[(4-Benzyloxy-phenyl)-phenyl-methyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one
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| Structure |
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| Formula |
C39H38N2O2
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| Molecular Weight |
566.745
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| Canonical SMILES |
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(OCc3ccccc3)cc2)CC1
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| InChI |
InChI=1S/C39H38N2O2/c42-38(29-37(32-15-7-2-8-16-32)33-17-9-3-10-18-33)40-25-27-41(28-26-40)39(34-19-11-4-12-20-34)35-21-23-36(24-22-35)43-30-31-13-5-1-6-14-31/h1-24,37,39H,25-30H2
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| InChIKey |
DWWSPFDJRFVBLB-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