General Information of the Compound
| Compound ID |
CP0486874
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| Compound Name |
Azepino[4,5-b]indole, 6g
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| Structure |
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| Formula |
C23H20F2N2O3
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| Molecular Weight |
410.42
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| Canonical SMILES |
CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C23H20F2N2O3/c1-3-30-23(29)16-12-27(22(28)14-8-9-17(24)18(25)10-14)11-13(2)20-15-6-4-5-7-19(15)26-21(16)20/h4-10,12-13,26H,3,11H2,1-2H3
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| InChIKey |
AAGAYUABSBAYSC-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