General Information of the Compound
| Compound ID |
CP0177258
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| Compound Name |
5-cyano-N-(5-((4-methylpiperazin-1-yl)methyl)-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
CN1CCN(Cc2ccc(N3CCCCC3)c(NC(=O)c3ccc(o3)C#N)c2)CC1
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| InChI |
InChI=1S/C23H29N5O2/c1-26-11-13-27(14-12-26)17-18-5-7-21(28-9-3-2-4-10-28)20(15-18)25-23(29)22-8-6-19(16-24)30-22/h5-8,15H,2-4,9-14,17H2,1H3,(H,25,29)
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| InChIKey |
CBUPZNJHZPSIBR-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