General Information of the Compound
| Compound ID |
CP0318508
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| Compound Name |
US8664236, A27
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| Structure |
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| Formula |
C23H20N8O
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| Molecular Weight |
424.468
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCOc4ccccc34)c2c1
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| InChI |
InChI=1S/C23H20N8O/c1-30-13-15(11-27-30)14-8-16-17(12-26-22(16)25-10-14)18-9-21(29-23(24)28-18)31-6-7-32-20-5-3-2-4-19(20)31/h2-5,8-13H,6-7H2,1H3,(H,25,26)(H2,24,28,29)
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| InChIKey |
VYSODGHTYHIDDJ-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