General Information of the Compound
| Compound ID |
CP0439199
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| Compound Name |
2-(dichloromethyl)-4-(methylthio)-6-(4-nitrophenyl)-1,3,5-triazine
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| Structure |
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| Formula |
C11H8Cl2N4O2S
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| Molecular Weight |
331.184
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| Canonical SMILES |
CSc1nc(nc(n1)-c1ccc(cc1)[N+]([O-])=O)C(Cl)Cl
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| InChI |
InChI=1S/C11H8Cl2N4O2S/c1-20-11-15-9(14-10(16-11)8(12)13)6-2-4-7(5-3-6)17(18)19/h2-5,8H,1H3
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| InChIKey |
SLSBTJGHGLHZFG-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