General Information of the Compound
| Compound ID |
CP0439158
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| Compound Name |
3-Chloro-5-(5,5-dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)benzonitrile
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| Structure |
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| Formula |
C18H15ClN2O2
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| Molecular Weight |
326.783
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| Canonical SMILES |
CC1(C)OCC(=O)Nc2ccc(cc12)-c1cc(Cl)cc(c1)C#N
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| InChI |
InChI=1S/C18H15ClN2O2/c1-18(2)15-8-12(3-4-16(15)21-17(22)10-23-18)13-5-11(9-20)6-14(19)7-13/h3-8H,10H2,1-2H3,(H,21,22)
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| InChIKey |
VKIDDGKDOLTLME-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