General Information of the Compound
| Compound ID |
CP0400600
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| Compound Name |
US8969325, 80
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| Structure |
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| Formula |
C22H21F2N3O3
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| Molecular Weight |
413.424
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc34)c2ccc1=O
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| InChI |
InChI=1S/C22H21F2N3O3/c1-27-18-7-4-6-16(14(18)9-10-20(27)28)25-21(29)26-17-11-22(12-23,13-24)30-19-8-3-2-5-15(17)19/h2-10,17H,11-13H2,1H3,(H2,25,26,29)/t17-/m1/s1
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| InChIKey |
NXAMBFKPVFQVFC-QGZVFWFLSA-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