General Information of the Compound
| Compound ID |
CP0457796
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| Compound Name |
5-cyano-N-(6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)pyridin-3-yl)furan-2-carboxamide
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| Structure |
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| Formula |
C22H28N6O2
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| Molecular Weight |
408.506
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1NC(=O)c1ccc(o1)C#N)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H28N6O2/c1-16-7-9-28(10-8-16)21-18(24-22(29)19-5-3-17(15-23)30-19)4-6-20(25-21)27-13-11-26(2)12-14-27/h3-6,16H,7-14H2,1-2H3,(H,24,29)
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| InChIKey |
DXERWJSIFQBTCI-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