General Information of the Compound
| Compound ID |
CP0858788
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| Compound Name |
rac-cis-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-1-(methyl sulfonyl)-3-phenyl-4-piperidin-4-amine hydrochloride
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| Structure |
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| Formula |
C21H26ClF3N2O4S
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| Molecular Weight |
494.963
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| Canonical SMILES |
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCN(S(C)(=O)=O)C[C@H]1c1ccccc1.Cl
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| InChI |
InChI=1S/C21H25F3N2O4S.ClH/c1-29-20-9-8-17(30-21(22,23)24)12-16(20)13-25-19-10-11-26(31(2,27)28)14-18(19)15-6-4-3-5-7-15;/h3-9,12,18-19,25H,10-11,13-14H2,1-2H3;1H/t18-,19-;/m0./s1
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| InChIKey |
WHHDOFMKDNHHKB-HLRBRJAUSA-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