General Information of the Compound
| Compound ID |
CP0852056
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| Compound Name |
(+)-1-{(1S)-2-Piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl}cyclohexanol Dihydrochloride
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| Structure |
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| Formula |
C19H29Cl2F3N2O2
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| Molecular Weight |
445.353
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| Canonical SMILES |
Cl.Cl.OC1([C@H](CN2CCNCC2)c2cccc(OC(F)(F)F)c2)CCCCC1
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| InChI |
InChI=1S/C19H27F3N2O2.2ClH/c20-19(21,22)26-16-6-4-5-15(13-16)17(14-24-11-9-23-10-12-24)18(25)7-2-1-3-8-18;;/h4-6,13,17,23,25H,1-3,7-12,14H2;2*1H/t17-;;/m1../s1
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| InChIKey |
XQNGYGNOPUIZQG-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