General Information of the Compound
| Compound ID |
CP0637108
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| Compound Name |
rac-1-(2-(2-hydroxy-3-(4-p-tolylpiperazin-1-yl)propoxy)phenyl)-3-phenylpropan-1-one hydrochloride
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| Structure |
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| Formula |
C29H35ClN2O3
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| Molecular Weight |
495.063
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| Canonical SMILES |
Cc1ccc(N2CCN(CC(O)COc3ccccc3C(=O)CCc3ccccc3)CC2)cc1.Cl
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| InChI |
InChI=1S/C29H34N2O3.ClH/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24;/h2-12,14-15,26,32H,13,16-22H2,1H3;1H
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| InChIKey |
JVZSQIMZZQMQGM-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha