General Information of the Compound
| Compound ID |
CP0944901
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| Compound Name |
3,9-Dichloro-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
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| Structure |
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| Formula |
C15H8Cl2N2O2S
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| Molecular Weight |
351.214
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| Canonical SMILES |
O=S1(=O)Nc2c(ccc3ccc(Cl)nc23)-c2cc(Cl)ccc21
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| InChI |
InChI=1S/C15H8Cl2N2O2S/c16-9-3-5-12-11(7-9)10-4-1-8-2-6-13(17)18-14(8)15(10)19-22(12,20)21/h1-7,19H
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| InChIKey |
CXEFHFLKBAKEFA-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