General Information of the Compound
| Compound ID |
CP0566358
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| Compound Name |
US9266880, 6
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| Structure |
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| Formula |
C16H14N6O2S
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| Molecular Weight |
354.395
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| Canonical SMILES |
Cn1cncc1-c1ccnc2n(ncc12)-c1cccc(c1)S(N)(=O)=O
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| InChI |
InChI=1S/C16H14N6O2S/c1-21-10-18-9-15(21)13-5-6-19-16-14(13)8-20-22(16)11-3-2-4-12(7-11)25(17,23)24/h2-10H,1H3,(H2,17,23,24)
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| InChIKey |
QTUBLCAQIQRUOD-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