General Information of the Compound
| Compound ID |
CP0460510
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| Compound Name |
4-{[1-(2-Butyl-benzofuran-5-yl)-ethyl]-hydroxy-carbamoyl}-butyric acid methyl ester
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| Structure |
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| Formula |
C20H27NO5
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| Molecular Weight |
361.438
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| Canonical SMILES |
CCCCc1cc2cc(ccc2o1)C(C)N(O)C(=O)CCCC(=O)OC
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| InChI |
InChI=1S/C20H27NO5/c1-4-5-7-17-13-16-12-15(10-11-18(16)26-17)14(2)21(24)19(22)8-6-9-20(23)25-3/h10-14,24H,4-9H2,1-3H3
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| InChIKey |
NUHRVUGGYSDMGT-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