General Information of the Compound
| Compound ID |
CP0464882
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| Compound Name |
US9187424, 79
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| Structure |
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| Formula |
C24H17F9N2O3
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| Molecular Weight |
552.393
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| Canonical SMILES |
FC(F)(F)CCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H17F9N2O3/c25-22(26,27)10-1-11-37-16-8-4-15(5-9-16)21(23(28,29)30)12-18(19(13-34)20(36)35-21)14-2-6-17(7-3-14)38-24(31,32)33/h2-9H,1,10-12H2,(H,35,36)
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| InChIKey |
WQVUELUBRNMKQI-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