General Information of the Compound
| Compound ID |
CP0859725
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| Compound Name |
4-[3-(4-Benzhydryl-piperazin-1-yl)-propoxy]-2,3,6-trimethyl-phenol hydrochloride
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| Structure |
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| Formula |
C29H37ClN2O2
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| Molecular Weight |
481.08
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| Canonical SMILES |
Cc1cc(OCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O.Cl
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| InChI |
InChI=1S/C29H36N2O2.ClH/c1-22-21-27(23(2)24(3)29(22)32)33-20-10-15-30-16-18-31(19-17-30)28(25-11-6-4-7-12-25)26-13-8-5-9-14-26;/h4-9,11-14,21,28,32H,10,15-20H2,1-3H3;1H
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| InChIKey |
QKNHHBXGEAQRIL-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