General Information of the Compound
| Compound ID |
CP0412707
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| Compound Name |
US8772304, 15
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| Structure |
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| Formula |
C26H23F2N7
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| Molecular Weight |
471.515
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(NCc2cccc(F)n2)nc1)-c1cccc(F)n1
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| InChI |
InChI=1S/C26H23F2N7/c1-26(2,3)35-21-11-10-16(12-20(21)34-24(35)19-7-5-9-23(28)33-19)17-13-29-25(30-14-17)31-15-18-6-4-8-22(27)32-18/h4-14H,15H2,1-3H3,(H,29,30,31)
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| InChIKey |
DVZXQLQMTHXHEH-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