General Information of the Compound
| Compound ID |
CP0637784
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| Compound Name |
rac-1-(2-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)-5-fluorophenyl)-3-phenylpropan-1-one hydrochloride
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| Structure |
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| Formula |
C35H38ClFN2O3
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| Molecular Weight |
589.151
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| Canonical SMILES |
Cl.O=C(CCc1ccccc1)c1cc(F)ccc1OCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C35H37FN2O3.ClH/c36-30-17-19-34(32(24-30)33(40)18-16-27-10-4-1-5-11-27)41-26-31(39)25-37-20-22-38(23-21-37)35(28-12-6-2-7-13-28)29-14-8-3-9-15-29;/h1-15,17,19,24,31,35,39H,16,18,20-23,25-26H2;1H
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| InChIKey |
IGVPKUYUKHLLJD-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