General Information of the Compound
| Compound ID |
CP0504243
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| Compound Name |
N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[(2-piperidin-2-ylacetyl)amino]phenyl]pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C30H26FN5O4
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| Molecular Weight |
539.567
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| Canonical SMILES |
Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)CC3CCCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1
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| InChI |
InChI=1S/C30H26FN5O4/c31-19-9-10-22(26(37)14-19)25-16-23(24(17-32)29(35-25)36-30(39)27-8-4-12-40-27)18-5-3-7-21(13-18)34-28(38)15-20-6-1-2-11-33-20/h3-5,7-10,12-14,16,20,33,37H,1-2,6,11,15H2,(H,34,38)(H,35,36,39)
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| InChIKey |
KJPTXMKHKFOSHC-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