General Information of the Compound
| Compound ID |
CP0415259
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| Compound Name |
US8791272, 2.41
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| Structure |
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| Formula |
C26H28F3N3O3
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| Molecular Weight |
487.522
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| Canonical SMILES |
CCCc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(C(C)C)c1CC(O)=O
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| InChI |
InChI=1S/C26H28F3N3O3/c1-4-5-22-21(14-23(33)34)24(16(2)3)32(31-22)15-17-6-12-20(13-7-17)30-25(35)18-8-10-19(11-9-18)26(27,28)29/h6-13,16H,4-5,14-15H2,1-3H3,(H,30,35)(H,33,34)
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| InChIKey |
KHDHEATURUTPKY-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