General Information of the Compound
| Compound ID |
CP0008576
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| Compound Name |
1-[4-[(2,4-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
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| Structure |
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| Formula |
C34H36N2O
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| Molecular Weight |
488.675
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| Canonical SMILES |
Cc1ccc(C(N2CCN(CC2)C(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2)c(C)c1
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| InChI |
InChI=1S/C34H36N2O/c1-26-18-19-31(27(2)24-26)34(30-16-10-5-11-17-30)36-22-20-35(21-23-36)33(37)25-32(28-12-6-3-7-13-28)29-14-8-4-9-15-29/h3-19,24,32,34H,20-23,25H2,1-2H3
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| InChIKey |
PSEHTODILBVIHC-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