General Information of the Compound
| Compound ID |
CP0000413
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| Compound Name |
1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
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| Structure |
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| Formula |
C34H36N2O3
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| Molecular Weight |
520.673
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| Canonical SMILES |
COc1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H36N2O3/c1-38-30-17-13-28(14-18-30)34(29-15-19-31(39-2)20-16-29)36-23-21-35(22-24-36)33(37)25-32(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-20,32,34H,21-25H2,1-2H3
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| InChIKey |
CBDZLOJIUYHCHO-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
Protein ID: PT02836, Voltage-dependent N-type calcium channel subunit alpha-1B
Protein ID: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G