General Information of the Compound
| Compound ID |
CP0533497
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| Compound Name |
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-[5-(trifluoromethyl)pyridin-2-yl]ethyl]acetamide
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| Formula |
C17H14F3N5O2
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| Molecular Weight |
377.326
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C17H14F3N5O2/c1-10(13-7-6-11(8-21-13)17(18,19)20)22-15(26)9-25-16(27)12-4-2-3-5-14(12)23-24-25/h2-8,10H,9H2,1H3,(H,22,26)/t10-/m0/s1
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| InChIKey |
DNJSHEXKCZPGIW-JTQLQIEISA-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