General Information of the Compound
| Compound ID |
CP0565067
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| Compound Name |
2-[(3S)-7-chloro-5-methyl-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 |
C21H20ClN3O5
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| Molecular Weight |
429.86
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| Canonical SMILES |
CNC(=O)C[C@H]1COc2cc(Cl)cc(C)c2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C21H20ClN3O5/c1-11-5-13(22)7-17-20(11)25(14(9-29-17)8-18(26)23-2)21(28)12-3-4-16-15(6-12)24-19(27)10-30-16/h3-7,14H,8-10H2,1-2H3,(H,23,26)(H,24,27)/t14-/m0/s1
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| InChIKey |
MSVOAIOAPRWHCG-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