General Information of the Compound
| Compound ID |
CP0881979
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| Compound Name |
US9187424, 311
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| Structure |
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| Formula |
C24H27F3N6O2
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| Molecular Weight |
488.514
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| Canonical SMILES |
CCCCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(NC(=O)c2nnn[nH]2)C(=O)N1
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| InChI |
InChI=1S/C24H27F3N6O2/c1-3-4-5-6-7-8-9-14-23(24(25,26)27)15-18(17-12-10-16(2)11-13-17)19(21(34)29-23)28-22(35)20-30-32-33-31-20/h10-13H,3-8,15H2,1-2H3,(H,28,35)(H,29,34)(H,30,31,32,33)
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| InChIKey |
RKKRWOZFNITXHO-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