General Information of the Compound
| Compound ID |
CP0412032
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| Compound Name |
US10028961, Compound 59
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| Structure |
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| Formula |
C20H22F5N7O2
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| Molecular Weight |
487.433
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| Canonical SMILES |
COC(=O)N1CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C20H22F5N7O2/c1-34-18(33)32-8-6-12(10-32)27-17-30-15(13-3-2-4-14(28-13)20(23,24)25)29-16(31-17)26-11-5-7-19(21,22)9-11/h2-4,11-12H,5-10H2,1H3,(H2,26,27,29,30,31)
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| InChIKey |
HBUVPQWRGSFFAM-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