General Information of the Compound
| Compound ID |
CP0453875
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| Compound Name |
5-methyl-11-methylidene-2-nitrobenzo[c][1]benzazepin-6-one
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| Structure |
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| Formula |
C16H12N2O3
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| Molecular Weight |
280.283
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| Canonical SMILES |
C[n+]1c2ccc(cc2c([CH2-])c2ccccc2c1=O)[N+]([O-])=O
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| InChI |
InChI=1S/C16H12N2O3/c1-10-12-5-3-4-6-13(12)16(19)17(2)15-8-7-11(18(20)21)9-14(10)15/h3-9H,1H2,2H3
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| InChIKey |
CWBGTRWGHOYBSM-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta