General Information of the Compound
| Compound ID |
CP0962720
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| Compound Name |
12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysene-9-carboxylic acid(2-methoxy-ethyl)-amide
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| Structure |
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| Formula |
C19H16ClN3O4S
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| Molecular Weight |
417.874
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| Canonical SMILES |
COCCNC(=O)c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O
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| InChI |
InChI=1S/C19H16ClN3O4S/c1-27-8-7-22-19(24)11-4-5-16-13(9-11)14-10-15(20)12-3-2-6-21-17(12)18(14)23-28(16,25)26/h2-6,9-10,23H,7-8H2,1H3,(H,22,24)
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| InChIKey |
NTAKSOPFJQASNN-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