General Information of the Compound
| Compound ID |
CP0372094
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| Compound Name |
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(2-oxopiperidin-1-yl)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C22H25N5O3
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| Molecular Weight |
407.474
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)N1CCCCC1=O
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| InChI |
InChI=1S/C22H25N5O3/c1-25-10-12-26(13-11-25)16-5-7-18(19(14-16)27-9-3-2-4-21(27)28)24-22(29)20-8-6-17(15-23)30-20/h5-8,14H,2-4,9-13H2,1H3,(H,24,29)
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| InChIKey |
VWBZZSRBLNSSPT-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