General Information of the Compound
| Compound ID |
CP0510900
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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 (2-mercapto-1-methyl-ethyl)-amide
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| Structure |
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| Formula |
C20H20N2O2S
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| Molecular Weight |
352.459
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| Canonical SMILES |
CSCCNC(=O)C1C(=O)N2c3c1cccc3CCc1ccccc21
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| InChI |
InChI=1S/C20H20N2O2S/c1-25-12-11-21-19(23)17-15-7-4-6-14-10-9-13-5-2-3-8-16(13)22(18(14)15)20(17)24/h2-8,17H,9-12H2,1H3,(H,21,23)
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| InChIKey |
UKJQNVZYVCJTLI-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