General Information of the Compound
| Compound ID |
CP0961374
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| Compound Name |
US9187424, 278
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| Structure |
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| Formula |
C25H22F7N5O2
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| Molecular Weight |
557.47
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| Canonical SMILES |
Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C25H22F7N5O2/c1-14-4-6-15(7-5-14)17-13-23(25(30,31)32,33-22(38)20(17)21-34-36-37-35-21)18-9-8-16(12-19(18)26)39-11-3-2-10-24(27,28)29/h4-9,12H,2-3,10-11,13H2,1H3,(H,33,38)(H,34,35,36,37)
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| InChIKey |
NDQIBRIVGGPOQD-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