General Information of the Compound
| Compound ID |
CP0944897
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| Compound Name |
5-Methyl-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
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| Structure |
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| Formula |
C16H12N2O2S
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| Molecular Weight |
296.351
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| Canonical SMILES |
CN1c2c(ccc3cccnc23)-c2ccccc2S1(=O)=O
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| InChI |
InChI=1S/C16H12N2O2S/c1-18-16-13(9-8-11-5-4-10-17-15(11)16)12-6-2-3-7-14(12)21(18,19)20/h2-10H,1H3
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| InChIKey |
CBBWHLBLMKOFOZ-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