General Information of the Compound
| Compound ID |
CP0964023
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| Compound Name |
6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysene-9-carboxylicacidmethylamide
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| Structure |
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| Formula |
C17H13N3O3S
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| Molecular Weight |
339.376
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| Canonical SMILES |
CNC(=O)c1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
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| InChI |
InChI=1S/C17H13N3O3S/c1-18-17(21)11-5-7-14-13(9-11)12-6-4-10-3-2-8-19-15(10)16(12)20-24(14,22)23/h2-9,20H,1H3,(H,18,21)
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| InChIKey |
JPQMUPQWMISQSP-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