General Information of the Compound
| Compound ID |
CP0469050
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| Compound Name |
(-)-R-1-(1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl)cyclohexanol
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| Structure |
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| Formula |
C19H30ClN3
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| Molecular Weight |
335.923
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| Canonical SMILES |
CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(N)CCCCC2)CC1
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| InChI |
InChI=1S/C19H30ClN3/c1-22-10-12-23(13-11-22)15-18(16-6-5-7-17(20)14-16)19(21)8-3-2-4-9-19/h5-7,14,18H,2-4,8-13,15,21H2,1H3/t18-/m0/s1
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| InChIKey |
BHCVJMVHWIDLDP-SFHVURJKSA-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