General Information of the Compound
| Compound ID |
CP0411242
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| Compound Name |
US8592457, 1-16
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| Structure |
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| Formula |
C26H23FN4O3
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| Molecular Weight |
458.493
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| Canonical SMILES |
COc1ccc(CNC(=O)c2cc(ncc2-c2cccc(F)c2)-c2cncc(C)c2)nc1OC
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| InChI |
InChI=1S/C26H23FN4O3/c1-16-9-18(13-28-12-16)23-11-21(22(15-29-23)17-5-4-6-19(27)10-17)25(32)30-14-20-7-8-24(33-2)26(31-20)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
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| InChIKey |
WLCJVFXNGJWJGY-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