General Information of the Compound
| Compound ID |
CP0172227
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| Compound Name |
US8664236, A25
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| Structure |
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| Formula |
C23H20F2N8O
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| Molecular Weight |
462.464
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccc(F)cc3F)c2c1
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| InChI |
InChI=1S/C23H20F2N8O/c1-32-12-14(10-29-32)13-6-16-17(11-28-22(16)27-9-13)19-8-21(31-23(26)30-19)33(4-5-34)20-3-2-15(24)7-18(20)25/h2-3,6-12,34H,4-5H2,1H3,(H,27,28)(H2,26,30,31)
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| InChIKey |
YYROEKYUIWHGSU-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