General Information of the Compound
| Compound ID |
CP0881942
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| Compound Name |
US9187424, 99
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| Structure |
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| Formula |
C23H18ClF6N5O2
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| Molecular Weight |
545.871
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2cccc(Cl)c2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C23H18ClF6N5O2/c24-15-4-1-3-13(11-15)17-12-21(23(28,29)30,31-20(36)18(17)19-32-34-35-33-19)14-5-7-16(8-6-14)37-10-2-9-22(25,26)27/h1,3-8,11H,2,9-10,12H2,(H,31,36)(H,32,33,34,35)
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| InChIKey |
JQLNJHDVPDXBJV-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