General Information of the Compound
| Compound ID |
CP0566310
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| Compound Name |
US9206173, 2478
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| Structure |
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| Formula |
C25H20F5N5O2
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| Molecular Weight |
517.458
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| Canonical SMILES |
CN(Nc1nc2CCN(Cc2c(=O)n1CC#C)C(=O)c1c(F)cccc1F)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H20F5N5O2/c1-3-12-35-22(36)17-14-34(23(37)21-18(26)5-4-6-19(21)27)13-11-20(17)31-24(35)32-33(2)16-9-7-15(8-10-16)25(28,29)30/h1,4-10H,11-14H2,2H3,(H,31,32)
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| InChIKey |
SQRJESOGOYLOBR-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