General Information of the Compound
| Compound ID |
CP0845952
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| Compound Name |
1-{2-(3-Methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl}cyclohexanol Dihydrocholoride
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| Structure |
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| Formula |
C20H31Cl2F3N2O
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| Molecular Weight |
443.381
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| Canonical SMILES |
CN1CCN(CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1.Cl.Cl
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| InChI |
InChI=1S/C20H29F3N2O.2ClH/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)20(21,22)23;;/h5-7,14,18,26H,2-4,8-13,15H2,1H3;2*1H
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| InChIKey |
PXVMYRXIGXGAFB-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