General Information of the Compound
| Compound ID |
CP0905684
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| Compound Name |
3-(((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)amino)methyl)-N-(2-(methylsulfonyl)ethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C18H22ClF3N4O3S
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| Molecular Weight |
466.913
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| Canonical SMILES |
CS(=O)(=O)CCNC(=O)c1cccc(CNc2cc(CN)cc(C(F)(F)F)n2)c1.Cl
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| InChI |
InChI=1S/C18H21F3N4O3S.ClH/c1-29(27,28)6-5-23-17(26)14-4-2-3-12(7-14)11-24-16-9-13(10-22)8-15(25-16)18(19,20)21;/h2-4,7-9H,5-6,10-11,22H2,1H3,(H,23,26)(H,24,25);1H
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| InChIKey |
TUUQFUGTUZRMEB-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