General Information of the Compound
| Compound ID |
CP0170502
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| Compound Name |
US8680275, 38
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| Structure |
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| Formula |
C22H22F4N8O
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| Molecular Weight |
490.465
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| Canonical SMILES |
CN(C)c1nc(cc(n1)C(F)(F)F)N1CC2CCN(CC12)C(=O)c1ccc(F)cc1-n1nccn1
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| InChI |
InChI=1S/C22H22F4N8O/c1-31(2)21-29-18(22(24,25)26)10-19(30-21)33-11-13-5-8-32(12-17(13)33)20(35)15-4-3-14(23)9-16(15)34-27-6-7-28-34/h3-4,6-7,9-10,13,17H,5,8,11-12H2,1-2H3
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| InChIKey |
JHGJXSYUJSBXDY-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