General Information of the Compound
| Compound ID |
CP0392308
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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 thiazol-2-ylamide
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| Structure |
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| Formula |
C20H15N3O2S
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| Molecular Weight |
361.426
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| Canonical SMILES |
O=C(Nc1nccs1)C1C(=O)N2c3c1cccc3CCc1ccccc21
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| InChI |
InChI=1S/C20H15N3O2S/c24-18(22-20-21-10-11-26-20)16-14-6-3-5-13-9-8-12-4-1-2-7-15(12)23(17(13)14)19(16)25/h1-7,10-11,16H,8-9H2,(H,21,22,24)
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| InChIKey |
PJXDFVUCESIRMW-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