General Information of the Compound
| Compound ID |
CP0960152
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| Compound Name |
6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysene-9-carboxylic acid methyl ester
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| Structure |
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| Formula |
C17H12N2O4S
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| Molecular Weight |
340.36
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| Canonical SMILES |
COC(=O)c1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
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| InChI |
InChI=1S/C17H12N2O4S/c1-23-17(20)11-5-7-14-13(9-11)12-6-4-10-3-2-8-18-15(10)16(12)19-24(14,21)22/h2-9,19H,1H3
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| InChIKey |
LORZQWRRRMBFIM-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