General Information of the Compound
| Compound ID |
CP0576845
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| Compound Name |
US9428456, 2.064
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| Structure |
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| Formula |
C25H31F3N4O3
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| Molecular Weight |
492.542
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| Canonical SMILES |
CC(C)C(CO)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C25H31F3N4O3/c1-16(2)21(15-33)31-23(34)18-9-11-32(12-10-18)14-17-5-3-6-19(13-17)29-24(35)20-7-4-8-22(30-20)25(26,27)28/h3-8,13,16,18,21,33H,9-12,14-15H2,1-2H3,(H,29,35)(H,31,34)
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| InChIKey |
TYESFZRLWUQQPP-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