General Information of the Compound
| Compound ID |
CP0528074
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| Compound Name |
5-cyano-furan-2-carboxylic acid [4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-piperidin-1-yl-phenyl]-amide
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| Structure |
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| Formula |
C21H24N4O4S
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| Molecular Weight |
428.514
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| Canonical SMILES |
O=C(Nc1ccc(cc1N1CCCCC1)N1CCS(=O)(=O)CC1)c1ccc(o1)C#N
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| InChI |
InChI=1S/C21H24N4O4S/c22-15-17-5-7-20(29-17)21(26)23-18-6-4-16(24-10-12-30(27,28)13-11-24)14-19(18)25-8-2-1-3-9-25/h4-7,14H,1-3,8-13H2,(H,23,26)
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| InChIKey |
IKWJACAIAGRFFJ-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