General Information of the Compound
| Compound ID |
CP0484007
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| Compound Name |
US9187424, 230
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| Structure |
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| Formula |
C22H23F3N4O
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| Molecular Weight |
416.447
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| Canonical SMILES |
CCCCCn1cc(cn1)C1(CC(=C(C#N)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N4O/c1-3-4-5-10-29-14-17(13-27-29)21(22(23,24)25)11-18(19(12-26)20(30)28-21)16-8-6-15(2)7-9-16/h6-9,13-14H,3-5,10-11H2,1-2H3,(H,28,30)
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| InChIKey |
KNPQKIITFKRJFL-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