General Information of the Compound
| Compound ID |
CP0969462
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| Compound Name |
12-Trifluoromethyl-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
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| Structure |
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| Formula |
C16H9F3N2O2S
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| Molecular Weight |
350.321
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| Canonical SMILES |
O=S1(=O)Nc2c(cc(C(F)(F)F)c3cccnc23)-c2ccccc21
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| InChI |
InChI=1S/C16H9F3N2O2S/c17-16(18,19)12-8-11-9-4-1-2-6-13(9)24(22,23)21-15(11)14-10(12)5-3-7-20-14/h1-8,21H
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| InChIKey |
MSOOLRMVWCYVLY-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