General Information of the Compound
| Compound ID |
CP0383889
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| Compound Name |
Azepino[4,5-b]indole, 1
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| Structure |
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| Formula |
C22H19FN2O3
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| Molecular Weight |
378.403
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| Canonical SMILES |
CCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H19FN2O3/c1-2-28-22(27)18-13-25(21(26)14-7-9-15(23)10-8-14)12-11-17-16-5-3-4-6-19(16)24-20(17)18/h3-10,13,24H,2,11-12H2,1H3
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| InChIKey |
OBGFIJHGDTXLPB-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