General Information of the Compound
| Compound ID |
CP0552778
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| Compound Name |
US10028961, Compound 54
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| Structure |
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| Formula |
C18H20F5N7
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| Molecular Weight |
429.397
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CCNC2)nc(NC2CCC(F)(F)C2)n1
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| InChI |
InChI=1S/C18H20F5N7/c19-17(20)6-4-10(8-17)25-15-28-14(12-2-1-3-13(27-12)18(21,22)23)29-16(30-15)26-11-5-7-24-9-11/h1-3,10-11,24H,4-9H2,(H2,25,26,28,29,30)
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| InChIKey |
IXFTZPSJWXQNPG-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