General Information of the Compound
| Compound ID |
CP0107258
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| Compound Name |
US10245267, Example 127
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| Structure |
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| Formula |
C24H23F3N4O3
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| Molecular Weight |
472.467
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| Canonical SMILES |
COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
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| InChI |
InChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(23(33-2)29-13-17)31-6-8-34-9-7-31)12-19(14-28-15)30-22(32)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,30,32)
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| InChIKey |
BSUIIPUXGLKINZ-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