General Information of the Compound
| Compound ID |
CP0879798
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| Compound Name |
4-[10-(4-Benzhydryl-piperazin-1-yl)-decyloxy]-2,3,6-trimethyl-phenol hydrochloride
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| Structure |
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| Formula |
C36H51ClN2O2
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| Molecular Weight |
579.269
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| Canonical SMILES |
Cc1cc(OCCCCCCCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O.Cl
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| InChI |
InChI=1S/C36H50N2O2.ClH/c1-29-28-34(30(2)31(3)36(29)39)40-27-17-9-7-5-4-6-8-16-22-37-23-25-38(26-24-37)35(32-18-12-10-13-19-32)33-20-14-11-15-21-33;/h10-15,18-21,28,35,39H,4-9,16-17,22-27H2,1-3H3;1H
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| InChIKey |
TZPKZTFVRAUYAT-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