General Information of the Compound
| Compound ID |
CP0009367
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| Compound Name |
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
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| Structure |
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| Formula |
C32H31ClN2O
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| Molecular Weight |
495.066
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H31ClN2O/c33-29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)35-22-20-34(21-23-35)31(36)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2
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| InChIKey |
AOQSRDPSBXFFQW-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