General Information of the Compound
| Compound ID |
CP0962719
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| Compound Name |
1-Pyrazol-1-yl-5H-6-thia-4,5-diaza-chrysene6,6-dioxide
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| Structure |
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| Formula |
C18H12N4O2S
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| Molecular Weight |
348.387
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| Canonical SMILES |
O=S1(=O)Nc2c(ccc3c(-n4cccn4)ccnc23)-c2ccccc21
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| InChI |
InChI=1S/C18H12N4O2S/c23-25(24)16-5-2-1-4-12(16)13-6-7-14-15(22-11-3-9-20-22)8-10-19-17(14)18(13)21-25/h1-11,21H
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| InChIKey |
HTQCSGOLGMEFSX-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