General Information of the Compound
| Compound ID |
CP0346226
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| Compound Name |
US10245267, Example 62
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| Structure |
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccnc(c1)N1CCOCC1
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| InChI |
InChI=1S/C24H22F3N3O2/c1-16-5-6-20(29-23(31)18-3-2-4-19(13-18)24(25,26)27)15-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
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| InChIKey |
NOPNJPVZJCPTKV-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