General Information of the Compound
| Compound ID |
CP0486331
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| Compound Name |
US9409915, 90
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| Structure |
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| Formula |
C23H20ClF6N5O2
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| Molecular Weight |
547.887
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| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2cc(nc(OCC(F)(F)F)c2[nH]1)-c1ccccc1OC(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C23H20ClF6N5O2/c1-21(2,3)18-15(24)17(35(4)34-18)19-31-13-9-12(11-7-5-6-8-14(11)37-23(28,29)30)32-20(16(13)33-19)36-10-22(25,26)27/h5-9H,10H2,1-4H3,(H,31,33)
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| InChIKey |
FIVXZYRJDWPAFK-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