General Information of the Compound
| Compound ID |
CP0439359
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| Compound Name |
(4-Ethyl-phenyl)-(furan-2-carbonyl)-thiocarbamic acid O-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester
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| Structure |
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| Formula |
C24H20N2O5S
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| Molecular Weight |
448.5
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| Canonical SMILES |
CCc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1
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| InChI |
InChI=1S/C24H20N2O5S/c1-2-16-9-11-17(12-10-16)26(23(29)20-8-5-14-30-20)24(32)31-15-13-25-21(27)18-6-3-4-7-19(18)22(25)28/h3-12,14H,2,13,15H2,1H3
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| InChIKey |
LDEPVGXZNMFOMJ-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