General Information of the Compound
| Compound ID |
CP0961693
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(pyrimidin-5-yl)benzamide hydrochloride
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| Structure |
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| Formula |
C18H15ClF3N5O2
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| Molecular Weight |
425.798
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)Nc3cncnc3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C18H14F3N5O2.ClH/c19-18(20,21)15-4-11(7-22)5-16(26-15)28-14-3-1-2-12(6-14)17(27)25-13-8-23-10-24-9-13;/h1-6,8-10H,7,22H2,(H,25,27);1H
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| InChIKey |
NYTWHURMXGVYLP-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