General Information of the Compound
| Compound ID |
CP0866764
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| Compound Name |
12-Chloro-9-ethoxy-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
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| Structure |
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| Formula |
C17H13ClN2O3S
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| Molecular Weight |
360.822
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| Canonical SMILES |
CCOc1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O
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| InChI |
InChI=1S/C17H13ClN2O3S/c1-2-23-10-5-6-15-12(8-10)13-9-14(18)11-4-3-7-19-16(11)17(13)20-24(15,21)22/h3-9,20H,2H2,1H3
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| InChIKey |
PMRQPTLNBBJGAS-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