General Information of the Compound
| Compound ID |
CP0250195
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| Compound Name |
US9422297, AAG145-159
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| Structure |
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| Formula |
C18H16N4O
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| Molecular Weight |
304.353
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| Canonical SMILES |
COc1cccc(Nc2nc(N)nc3Cc4ccccc4-c23)c1
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| InChI |
InChI=1S/C18H16N4O/c1-23-13-7-4-6-12(10-13)20-17-16-14-8-3-2-5-11(14)9-15(16)21-18(19)22-17/h2-8,10H,9H2,1H3,(H3,19,20,21,22)
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| InChIKey |
NLHWLKWHFRIZDW-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