General Information of the Compound
| Compound ID |
CP0903884
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| Compound Name |
5-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(2-(methylsulfonyl)ethyl)nicotinamide hydrochloride
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| Structure |
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| Formula |
C16H18ClF3N4O4S
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| Molecular Weight |
454.858
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| Canonical SMILES |
CS(=O)(=O)CCNC(=O)c1cncc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.Cl
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| InChI |
InChI=1S/C16H17F3N4O4S.ClH/c1-28(25,26)3-2-22-15(24)11-6-12(9-21-8-11)27-14-5-10(7-20)4-13(23-14)16(17,18)19;/h4-6,8-9H,2-3,7,20H2,1H3,(H,22,24);1H
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| InChIKey |
VPCOPBMLEAXYQG-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