General Information of the Compound
| Compound ID |
CP0957734
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| Compound Name |
US9187424, 131
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| Structure |
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| Formula |
C27H24F6N4O3
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| Molecular Weight |
566.502
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| Canonical SMILES |
Cc1ccc(C2=C(C(=O)Nc3cc(C)[nH]n3)C(=O)NC(c3ccc(OCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C27H24F6N4O3/c1-15-3-5-17(6-4-15)20-14-25(27(31,32)33,18-7-9-19(10-8-18)40-12-11-26(28,29)30)35-24(39)22(20)23(38)34-21-13-16(2)36-37-21/h3-10,13H,11-12,14H2,1-2H3,(H,35,39)(H2,34,36,37,38)
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| InChIKey |
HCNHJVGAIPYXLH-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