General Information of the Compound
| Compound ID |
CP0858970
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| Compound Name |
rac-1-(2-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)phenyl)-3-phenylpropan-1-one hydrochloride
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| Structure |
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| Formula |
C35H39ClN2O3
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| Molecular Weight |
571.161
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| Canonical SMILES |
Cl.O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C35H38N2O3.ClH/c38-31(27-40-34-19-11-10-18-32(34)33(39)21-20-28-12-4-1-5-13-28)26-36-22-24-37(25-23-36)35(29-14-6-2-7-15-29)30-16-8-3-9-17-30;/h1-19,31,35,38H,20-27H2;1H
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| InChIKey |
LAYQXKRXRHNEMR-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