General Information of the Compound
| Compound ID |
CP0386422
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| Compound Name |
(-)-R-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl)cyclohexanol
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| Structure |
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| Formula |
C17H27ClN2OS
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| Molecular Weight |
342.936
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| Canonical SMILES |
CN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1
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| InChI |
InChI=1S/C17H27ClN2OS/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17/h11,13,15,21H,2-10,12H2,1H3/t15-/m0/s1
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| InChIKey |
KHYNNQYNYMSTIB-HNNXBMFYSA-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