General Information of the Compound
| Compound ID |
CP0868813
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| Compound Name |
US9187424, 314
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| Structure |
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| Formula |
C25H23F6N5O2
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| Molecular Weight |
539.48
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| Canonical SMILES |
Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)c(C)c3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C25H23F6N5O2/c1-14-4-6-16(7-5-14)18-13-23(25(29,30)31,32-22(37)20(18)21-33-35-36-34-21)17-8-9-19(15(2)12-17)38-11-3-10-24(26,27)28/h4-9,12H,3,10-11,13H2,1-2H3,(H,32,37)(H,33,34,35,36)
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| InChIKey |
GZJHTGVMRWRAHB-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