General Information of the Compound
| Compound ID |
CP0554146
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| Compound Name |
US8802711, 80
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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)c3ccccc3F)c2ccc1=O
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| InChI |
InChI=1S/C22H22FN3O2/c1-26-20-8-4-7-19(17(20)11-12-21(26)27)25-22(28)24-15-10-9-14(13-15)16-5-2-3-6-18(16)23/h2-8,11-12,14-15H,9-10,13H2,1H3,(H2,24,25,28)/t14-,15+/m1/s1
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| InChIKey |
NGJOCHXSRSVEDI-CABCVRRESA-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