General Information of the Compound
| Compound ID |
CP0559406
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| Compound Name |
US9199981, F47
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| Structure |
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| Formula |
C24H18F3N7O2
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| Molecular Weight |
493.449
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc2ncc(C(=O)Nc3cc(ccc3F)-c3noc(n3)C3CC(F)(F)C3)n2c1
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| InChI |
InChI=1S/C24H18F3N7O2/c1-33-11-16(9-29-33)14-3-5-20-28-10-19(34(20)12-14)22(35)30-18-6-13(2-4-17(18)25)21-31-23(36-32-21)15-7-24(26,27)8-15/h2-6,9-12,15H,7-8H2,1H3,(H,30,35)
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| InChIKey |
SGTKWTOWPIPHNT-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