General Information of the Compound
| Compound ID |
CP0554414
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| Compound Name |
US9428456, 4.016
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| Structure |
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| Formula |
C26H30F4N4O2
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| Molecular Weight |
506.544
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| Canonical SMILES |
Fc1ccc(NC(=O)c2cccc(n2)C(F)(F)F)cc1CN1CCC(CC1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C26H30F4N4O2/c27-21-10-9-20(32-25(36)22-7-4-8-23(33-22)26(28,29)30)15-18(21)16-34-13-11-17(12-14-34)24(35)31-19-5-2-1-3-6-19/h4,7-10,15,17,19H,1-3,5-6,11-14,16H2,(H,31,35)(H,32,36)
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| InChIKey |
MSZXIXRWFZPXAB-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