General Information of the Compound
| Compound ID |
CP0496844
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| Compound Name |
1-Oxo-1,2-dihydro-6-thia-10b-aza-aceanthrylene-2-carboxylic acid (3-methyl-isothiazol-5-yl)-amide
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| Structure |
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| Formula |
C19H13N3O2S2
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| Molecular Weight |
379.466
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| Canonical SMILES |
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4Sc2ccccc32)sn1
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| InChI |
InChI=1S/C19H13N3O2S2/c1-10-9-15(26-21-10)20-18(23)16-11-5-4-8-14-17(11)22(19(16)24)12-6-2-3-7-13(12)25-14/h2-9,16H,1H3,(H,20,23)
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| InChIKey |
UHRFTXHCMBIHRK-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