General Information of the Compound
| Compound ID |
CP0897101
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| Compound Name |
1-{2-(4-Methylpiperazin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl}cyclohexanol Dihydrocholoride
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| Structure |
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| Formula |
C20H31Cl2F3N2O2
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| Molecular Weight |
459.38
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| Canonical SMILES |
CN1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCCCC2)CC1.Cl.Cl
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| InChI |
InChI=1S/C20H29F3N2O2.2ClH/c1-24-11-13-25(14-12-24)15-18(19(26)9-3-2-4-10-19)16-5-7-17(8-6-16)27-20(21,22)23;;/h5-8,18,26H,2-4,9-15H2,1H3;2*1H
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| InChIKey |
YYJIBHFMUZUGND-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
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter