General Information of the Compound
| Compound ID |
CP0460186
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| Compound Name |
1-Oxo-1,2,6,7-tetrahydro-benzo[6,7]azepino[3,2,1-hi]indole-2-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
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| Structure |
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| Formula |
C21H17N3O3
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| Molecular Weight |
359.385
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| Canonical SMILES |
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4CCc2ccccc32)no1
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| InChI |
InChI=1S/C21H17N3O3/c1-12-11-17(23-27-12)22-20(25)18-15-7-4-6-14-10-9-13-5-2-3-8-16(13)24(19(14)15)21(18)26/h2-8,11,18H,9-10H2,1H3,(H,22,23,25)
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| InChIKey |
IFWCIVGXSJLUGE-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