General Information of the Compound
| Compound ID |
CP0887436
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| Compound Name |
US9187424, 126
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| Structure |
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| Formula |
C26H23F3N6O2
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| Molecular Weight |
508.504
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| Canonical SMILES |
Cc1ccc(C2=C(C(=O)Nc3nn[nH]n3)C(=O)NC(c3ccc(C4=CCCC4)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C26H23F3N6O2/c1-15-6-8-18(9-7-15)20-14-25(26(27,28)29,19-12-10-17(11-13-19)16-4-2-3-5-16)31-23(37)21(20)22(36)30-24-32-34-35-33-24/h4,6-13H,2-3,5,14H2,1H3,(H,31,37)(H2,30,32,33,34,35,36)
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| InChIKey |
CYZHBJHQJDTHFL-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