General Information of the Compound
| Compound ID |
CP0546490
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| Compound Name |
N-methyl-2-[(3S)-7-methyl-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
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| Structure |
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| Formula |
C21H21N3O5
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| Molecular Weight |
395.415
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| Canonical SMILES |
CNC(=O)C[C@H]1COc2cc(C)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C21H21N3O5/c1-12-3-5-16-18(7-12)28-10-14(9-19(25)22-2)24(16)21(27)13-4-6-17-15(8-13)23-20(26)11-29-17/h3-8,14H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t14-/m0/s1
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| InChIKey |
IJTNKDPWHRABRX-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