General Information of the Compound
| Compound ID |
CP0556452
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| Compound Name |
US9187424, 300
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| Structure |
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| Formula |
C27H28F3N3O2
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| Molecular Weight |
483.534
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| Canonical SMILES |
CCCCCCC#CC1(CC(=C(NC(=O)c2cccnc2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N3O2/c1-3-4-5-6-7-8-15-26(27(28,29)30)17-22(20-13-11-19(2)12-14-20)23(25(35)33-26)32-24(34)21-10-9-16-31-18-21/h9-14,16,18H,3-7,17H2,1-2H3,(H,32,34)(H,33,35)
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| InChIKey |
CXFDFSKJCZJFQE-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