General Information of the Compound
| Compound ID |
CP0117564
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| Compound Name |
US10245267, Example 134
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| Structure |
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| Formula |
C26H27F3N4O3
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| Molecular Weight |
500.521
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| Canonical SMILES |
CC(C)Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
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| InChI |
InChI=1S/C26H27F3N4O3/c1-16(2)36-25-23(33-7-9-35-10-8-33)12-19(14-31-25)22-13-21(15-30-17(22)3)32-24(34)18-5-4-6-20(11-18)26(27,28)29/h4-6,11-16H,7-10H2,1-3H3,(H,32,34)
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| InChIKey |
HSMGIQDGRRTVOS-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