General Information of the Compound
| Compound ID |
CP0850318
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| Compound Name |
(+)-1-[(1S)-1-(3-Chlorophenyl)-2-piperazin-1-ylethyl]cyclohexanol Dihydrochloride
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| Structure |
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| Formula |
C18H29Cl3N2O
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| Molecular Weight |
395.802
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| Canonical SMILES |
Cl.Cl.OC1([C@H](CN2CCNCC2)c2cccc(Cl)c2)CCCCC1
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| InChI |
InChI=1S/C18H27ClN2O.2ClH/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18;;/h4-6,13,17,20,22H,1-3,7-12,14H2;2*1H/t17-;;/m1../s1
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| InChIKey |
NESUISGAACOCQG-ZEECNFPPSA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter