General Information of the Compound
| Compound ID |
CP0518269
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| Compound Name |
6-chloro-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methoxy-2,3-dihydro-1,4-benzoxazepin-5-one
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| Structure |
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| Formula |
C18H19ClN2O4
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| Molecular Weight |
362.813
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| Canonical SMILES |
COc1ccc2OCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl
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| InChI |
InChI=1S/C18H19ClN2O4/c1-10-8-11(2)20-17(22)12(10)9-21-6-7-25-13-4-5-14(24-3)16(19)15(13)18(21)23/h4-5,8H,6-7,9H2,1-3H3,(H,20,22)
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| InChIKey |
MGZRVQYOZMPOSS-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