General Information of the Compound
| Compound ID |
CP0961929
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| Compound Name |
US9187424, 288
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| Structure |
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| Formula |
C25H22F5N5O2
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| Molecular Weight |
519.474
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| Canonical SMILES |
Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCC4CC(F)(F)C4)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C25H22F5N5O2/c1-14-2-4-16(5-3-14)19-12-24(25(28,29)30,31-22(36)20(19)21-32-34-35-33-21)17-6-8-18(9-7-17)37-13-15-10-23(26,27)11-15/h2-9,15H,10-13H2,1H3,(H,31,36)(H,32,33,34,35)
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| InChIKey |
YVNURMDYJKBIDP-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