General Information of the Compound
| Compound ID |
CP0960154
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| Compound Name |
1-(3-Chloro-4-fluoro-phenyl)-2-methyl-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene3,3-dioxide
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| Structure |
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| Formula |
C17H13ClFN3O2S
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| Molecular Weight |
377.828
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| Canonical SMILES |
CN1C(c2ccc(F)c(Cl)c2)c2ccc3cccnc3c2NS1(=O)=O
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| InChI |
InChI=1S/C17H13ClFN3O2S/c1-22-17(11-5-7-14(19)13(18)9-11)12-6-4-10-3-2-8-20-15(10)16(12)21-25(22,23)24/h2-9,17,21H,1H3
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| InChIKey |
XSQOTKOAMZXWPH-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