General Information of the Compound
| Compound ID |
CP0417349
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| Compound Name |
Azepino[4,5-b]indole, 6k
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| Structure |
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| Formula |
C25H26N2O4
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| Molecular Weight |
418.493
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| Canonical SMILES |
CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C25H26N2O4/c1-5-31-24(29)19-14-27(23(28)16-10-12-17(30-4)13-11-16)15-25(2,3)21-18-8-6-7-9-20(18)26-22(19)21/h6-14,26H,5,15H2,1-4H3
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| InChIKey |
LGDZCIUWYQBABV-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