General Information of the Compound
| Compound ID |
CP0969777
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(2-aminophenyl)benzamide hydrochloride
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| Structure |
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| Formula |
C20H18ClF3N4O2
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| Molecular Weight |
438.837
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)Nc3ccccc3N)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C20H17F3N4O2.ClH/c21-20(22,23)17-8-12(11-24)9-18(27-17)29-14-5-3-4-13(10-14)19(28)26-16-7-2-1-6-15(16)25;/h1-10H,11,24-25H2,(H,26,28);1H
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| InChIKey |
UVKSUSZPPGICKY-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