General Information of the Compound
| Compound ID |
CP0961923
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| Compound Name |
US9187424, 98
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| Structure |
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| Formula |
C24H18F9N5O2
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| Molecular Weight |
579.423
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(C(F)(F)F)cc2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C24H18F9N5O2/c25-22(26,27)10-1-11-40-16-8-6-14(7-9-16)21(24(31,32)33)12-17(13-2-4-15(5-3-13)23(28,29)30)18(20(39)34-21)19-35-37-38-36-19/h2-9H,1,10-12H2,(H,34,39)(H,35,36,37,38)
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| InChIKey |
LVBHOZVKBAPHHY-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