General Information of the Compound
| Compound ID |
CP0517930
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| Compound Name |
US9187424, 136
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| Structure |
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| Formula |
C26H19F9N4O4
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| Molecular Weight |
622.444
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)Nc2nnc(o2)C(F)(F)F)C(=O)NC(C1)(c1ccc(OCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H19F9N4O4/c1-13-2-4-14(5-3-13)17-12-23(26(33,34)35,15-6-8-16(9-7-15)42-11-10-24(27,28)29)37-20(41)18(17)19(40)36-22-39-38-21(43-22)25(30,31)32/h2-9H,10-12H2,1H3,(H,37,41)(H,36,39,40)
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| InChIKey |
IJRWEZBLLNTQSL-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