General Information of the Compound
| Compound ID |
CP0471602
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| Compound Name |
CHEMBL3113362
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| Formula |
C16H16N4O2S
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| Molecular Weight |
328.397
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| Canonical SMILES |
CCNc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H16N4O2S/c1-2-18-16-14(23(21,22)12-8-4-3-5-9-12)15(17)20-11-7-6-10-13(20)19-16/h3-11,17-18H,2H2,1H3
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| InChIKey |
AQKSYBVVAMIQGO-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