General Information of the Compound
| Compound ID |
CP0495543
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| Compound Name |
US9187424, 69
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| Structure |
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| Formula |
C24H17F6N3O2
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| Molecular Weight |
493.407
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| Canonical SMILES |
FC(F)(F)CCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1cccc(c1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C24H17F6N3O2/c25-23(26,27)9-2-10-35-18-7-5-17(6-8-18)22(24(28,29)30)12-19(20(14-32)21(34)33-22)16-4-1-3-15(11-16)13-31/h1,3-8,11H,2,9-10,12H2,(H,33,34)
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| InChIKey |
KDHFTCKNVBCJED-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