General Information of the Compound
| Compound ID |
CP0903900
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| Compound Name |
4'-(Aminomethyl)-6'-(trifluoromethyl)-2H-[1,2'-bipyridin]-2-one hydrochloride
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| Structure |
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| Formula |
C12H11ClF3N3O
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| Molecular Weight |
305.687
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| Canonical SMILES |
Cl.NCc1cc(-n2ccccc2=O)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C12H10F3N3O.ClH/c13-12(14,15)9-5-8(7-16)6-10(17-9)18-4-2-1-3-11(18)19;/h1-6H,7,16H2;1H
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| InChIKey |
NMXZQVVQUVOMHF-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