General Information of the Compound
| Compound ID |
CP0915147
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| Compound Name |
4-[8-(4-Benzhydryl-piperazin-1-yl)-octyloxy]-2,3,6-trimethyl-phenol hydrochloride
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| Structure |
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| Formula |
C34H47ClN2O2
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| Molecular Weight |
551.215
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| Canonical SMILES |
Cc1cc(OCCCCCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O.Cl
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| InChI |
InChI=1S/C34H46N2O2.ClH/c1-27-26-32(28(2)29(3)34(27)37)38-25-15-7-5-4-6-14-20-35-21-23-36(24-22-35)33(30-16-10-8-11-17-30)31-18-12-9-13-19-31;/h8-13,16-19,26,33,37H,4-7,14-15,20-25H2,1-3H3;1H
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| InChIKey |
AFQIPBMGZDPHOD-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