General Information of the Compound
| Compound ID |
CP0557541
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| Compound Name |
US9187424, 71
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| Structure |
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| Formula |
C23H18F6N2O2
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| Molecular Weight |
468.397
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| Canonical SMILES |
FC(F)(F)CCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C23H18F6N2O2/c24-22(25,26)11-4-12-33-17-9-7-16(8-10-17)21(23(27,28)29)13-18(15-5-2-1-3-6-15)19(14-30)20(32)31-21/h1-3,5-10H,4,11-13H2,(H,31,32)
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| InChIKey |
BQYWPMFOCUUFDZ-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