General Information of the Compound
| Compound ID |
CP0419869
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| Compound Name |
US9187424, 36
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| Structure |
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| Formula |
C27H27F3N2O2
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| Molecular Weight |
468.519
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCC2CCCC2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H27F3N2O2/c1-18-6-8-20(9-7-18)23-16-26(27(28,29)30,32-25(33)24(23)17-31)21-10-12-22(13-11-21)34-15-14-19-4-2-3-5-19/h6-13,19H,2-5,14-16H2,1H3,(H,32,33)
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| InChIKey |
BSYIEGGHVGXRTL-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