General Information of the Compound
| Compound ID |
CP0576176
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| Compound Name |
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
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| Structure |
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| Formula |
C25H20N2O4
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| Molecular Weight |
412.445
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| Canonical SMILES |
O=C(CCC(=O)c1ccc2OCCOc2c1)Nc1cccc(c1)C#Cc1ccccn1
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| InChI |
InChI=1S/C25H20N2O4/c28-22(19-8-11-23-24(17-19)31-15-14-30-23)10-12-25(29)27-21-6-3-4-18(16-21)7-9-20-5-1-2-13-26-20/h1-6,8,11,13,16-17H,10,12,14-15H2,(H,27,29)
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| InChIKey |
GLEFQAXTNCPVOL-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