General Information of the Compound
| Compound ID |
CP0493303
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| Compound Name |
US9062048, 74
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| Structure |
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| Formula |
C26H30F3N7O
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| Molecular Weight |
513.568
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| Canonical SMILES |
CNc1cnccc1C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C26H30F3N7O/c1-30-23-11-31-9-8-20(23)16-2-5-19(6-3-16)36-13-18(14-36)35-24(37)12-32-25-21-10-17(26(27,28)29)4-7-22(21)33-15-34-25/h4,7-11,15-16,18-19,30H,2-3,5-6,12-14H2,1H3,(H,35,37)(H,32,33,34)
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| InChIKey |
SIMPHXXRRUXIKA-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