General Information of the Compound
| Compound ID |
CP0899626
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| Compound Name |
4-[6-(4-Benzhydryl-piperazin-1-yl)-hexyloxy]-2,3,6-trimethyl-phenol hydrochloride
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| Structure |
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| Formula |
C32H43ClN2O2
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| Molecular Weight |
523.161
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| Canonical SMILES |
Cc1cc(OCCCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O.Cl
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| InChI |
InChI=1S/C32H42N2O2.ClH/c1-25-24-30(26(2)27(3)32(25)35)36-23-13-5-4-12-18-33-19-21-34(22-20-33)31(28-14-8-6-9-15-28)29-16-10-7-11-17-29;/h6-11,14-17,24,31,35H,4-5,12-13,18-23H2,1-3H3;1H
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| InChIKey |
ZNTYLJIMOSKMQO-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