General Information of the Compound
| Compound ID |
CP0501087
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| Compound Name |
Azepino[4,5-b]indole, 6f
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| Structure |
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| Formula |
C24H24N2O4
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| Molecular Weight |
404.466
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| Canonical SMILES |
CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C24H24N2O4/c1-4-30-24(28)19-14-26(23(27)16-9-11-17(29-3)12-10-16)13-15(2)21-18-7-5-6-8-20(18)25-22(19)21/h5-12,14-15,25H,4,13H2,1-3H3
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| InChIKey |
CBDVUOINKZEDHQ-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