General Information of the Compound
| Compound ID |
CP0527331
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| Compound Name |
US9187437, 13
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| Structure |
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| Formula |
C23H22F4N2O
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| Molecular Weight |
418.434
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| Canonical SMILES |
Fc1cc(ccc1C(F)(F)F)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
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| InChI |
InChI=1S/C23H22F4N2O/c24-19-15-16(9-10-18(19)23(25,26)27)21-28-20(30-29-21)11-14-22(12-5-2-6-13-22)17-7-3-1-4-8-17/h1,3-4,7-10,15H,2,5-6,11-14H2
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| InChIKey |
XJOXSXUGPLCLSO-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