General Information of the Compound
| Compound ID |
CP0008582
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| Compound Name |
3,3-diphenyl-1-[4-[phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C35H38N2O4
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| Molecular Weight |
550.699
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C35H38N2O4/c1-39-31-23-29(24-32(40-2)35(31)41-3)34(28-17-11-6-12-18-28)37-21-19-36(20-22-37)33(38)25-30(26-13-7-4-8-14-26)27-15-9-5-10-16-27/h4-18,23-24,30,34H,19-22,25H2,1-3H3
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| InChIKey |
RFHHKLHLLXMGOX-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