General Information of the Compound
| Compound ID |
CP0008581
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| Compound Name |
1-[4-[(2,4-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
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| Structure |
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| Formula |
C32H30Cl2N2O
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| Molecular Weight |
529.511
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| Canonical SMILES |
Clc1ccc(C(N2CCN(CC2)C(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2)c(Cl)c1
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| InChI |
InChI=1S/C32H30Cl2N2O/c33-27-16-17-28(30(34)22-27)32(26-14-8-3-9-15-26)36-20-18-35(19-21-36)31(37)23-29(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-17,22,29,32H,18-21,23H2
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| InChIKey |
UAEWMWAZJFGSNI-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