General Information of the Compound
| Compound ID |
CP0381576
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| Compound Name |
2-hexyl-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one
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| Structure |
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| Formula |
C22H25NO
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| Molecular Weight |
319.448
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| Canonical SMILES |
CCCCCCc1ccc2N(C)C(=O)c3ccccc3C(=C)c2c1
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| InChI |
InChI=1S/C22H25NO/c1-4-5-6-7-10-17-13-14-21-20(15-17)16(2)18-11-8-9-12-19(18)22(24)23(21)3/h8-9,11-15H,2,4-7,10H2,1,3H3
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| InChIKey |
IAVVWWBAVCVMLO-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