General Information of the Compound
| Compound ID |
CP0419907
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| Compound Name |
US9187424, 254
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| Structure |
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| Formula |
C27H27F8N3O4
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| Molecular Weight |
609.514
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| Canonical SMILES |
CCNC(=O)NC1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(OCC(F)F)cc1
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| InChI |
InChI=1S/C27H27F8N3O4/c1-2-36-24(40)37-22-20(16-4-8-19(9-5-16)42-15-21(28)29)14-25(27(33,34)35,38-23(22)39)17-6-10-18(11-7-17)41-13-3-12-26(30,31)32/h4-11,21H,2-3,12-15H2,1H3,(H,38,39)(H2,36,37,40)
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| InChIKey |
QBRPSHXYMWRQCJ-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