General Information of the Compound
| Compound ID |
CP0946519
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| Compound Name |
1-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)benzoyl)azetidine-3-carbonitrile trifluoroacetate
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| Structure |
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| Formula |
C20H16F6N4O4
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| Molecular Weight |
490.36
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| Canonical SMILES |
N#CC1CN(C(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C18H15F3N4O2.C2HF3O2/c19-18(20,21)15-4-11(7-22)5-16(24-15)27-14-3-1-2-13(6-14)17(26)25-9-12(8-23)10-25;3-2(4,5)1(6)7/h1-6,12H,7,9-10,22H2;(H,6,7)
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| InChIKey |
RVLBMAKVIXGOEU-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