General Information of the Compound
| Compound ID |
CP0450629
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| Compound Name |
US10028961, Compound 274
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| Structure |
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| Formula |
C25H32F5N7O2
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| Molecular Weight |
557.568
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C25H32F5N7O2/c1-23(2,3)39-22(38)37-13-9-16(10-14-37)32-21-35-19(17-5-4-6-18(33-17)25(28,29)30)34-20(36-21)31-15-7-11-24(26,27)12-8-15/h4-6,15-16H,7-14H2,1-3H3,(H2,31,32,34,35,36)
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| InChIKey |
MMAPFCIIBGUZQG-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