General Information of the Compound
| Compound ID |
CP0565063
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| Compound Name |
2-[(3S)-7-cyano-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
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| Structure |
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| Formula |
C21H18N4O5
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| Molecular Weight |
406.398
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| Canonical SMILES |
CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1)C#N
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| InChI |
InChI=1S/C21H18N4O5/c1-23-19(26)8-14-10-29-18-6-12(9-22)2-4-16(18)25(14)21(28)13-3-5-17-15(7-13)24-20(27)11-30-17/h2-7,14H,8,10-11H2,1H3,(H,23,26)(H,24,27)/t14-/m0/s1
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| InChIKey |
BQUVGFBXPQYTCL-AWEZNQCLSA-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