General Information of the Compound
| Compound ID |
CP0944902
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| Compound Name |
11H-12-Thia-1,10,11-triaza-chrysene12,12-dioxide
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| Structure |
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| Formula |
C14H9N3O2S
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| Molecular Weight |
283.312
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| Canonical SMILES |
O=S1(=O)Nc2c(ccc3cccnc23)-c2cccnc21
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| InChI |
InChI=1S/C14H9N3O2S/c18-20(19)14-11(4-2-8-16-14)10-6-5-9-3-1-7-15-12(9)13(10)17-20/h1-8,17H
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| InChIKey |
LIQNAHUBQGMPEX-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