General Information of the Compound
| Compound ID |
CP0490550
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| Compound Name |
US8802711, 79
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| Structure |
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| Formula |
C22H22FN3O2
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| Molecular Weight |
379.435
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@H]3CC[C@H](C3)c3cccc(F)c3)c2ccc1=O
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| InChI |
InChI=1S/C22H22FN3O2/c1-26-20-7-3-6-19(18(20)10-11-21(26)27)25-22(28)24-17-9-8-15(13-17)14-4-2-5-16(23)12-14/h2-7,10-12,15,17H,8-9,13H2,1H3,(H2,24,25,28)/t15-,17+/m1/s1
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| InChIKey |
FPFQYWQWBIOHBB-WBVHZDCISA-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