General Information of the Compound
| Compound ID |
CP0568269
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| Compound Name |
US9409915, 15
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| Structure |
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| Formula |
C24H20F6N6O
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| Molecular Weight |
522.453
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| Canonical SMILES |
Cn1nc(c(C#N)c1-c1nc2cc(nc(OCC(F)(F)F)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C24H20F6N6O/c1-22(2,3)19-13(10-31)18(36(4)35-19)20-32-16-9-15(12-7-5-6-8-14(12)24(28,29)30)33-21(17(16)34-20)37-11-23(25,26)27/h5-9H,11H2,1-4H3,(H,32,34)
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| InChIKey |
WJQSBHQTOZLODM-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