General Information of the Compound
| Compound ID |
CP0362160
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| Compound Name |
US11332473, Compound 1.2
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| Structure |
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| Formula |
C25H25F2N7O
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| Molecular Weight |
477.519
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| Canonical SMILES |
CC(C)(F)c1nc(ccc1F)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12
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| InChI |
InChI=1S/C25H25F2N7O/c1-25(2,27)21-19(26)7-8-20(31-21)34-22-18(23(35)33(34)17-5-6-17)13-29-24(32-22)30-16-4-3-15-12-28-10-9-14(15)11-16/h3-4,7-8,11,13,17,28H,5-6,9-10,12H2,1-2H3,(H,29,30,32)
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| InChIKey |
PEFHEJYZHSANJF-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