General Information of the Compound
| Compound ID |
CP0527636
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| Compound Name |
4-{Hydroxy-[1-(2-phenyl-benzofuran-5-yl)-ethyl]-carbamoyl}-butyric acid methyl ester
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| Structure |
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| Formula |
C22H23NO5
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| Molecular Weight |
381.428
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| Canonical SMILES |
COC(=O)CCCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
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| InChI |
InChI=1S/C22H23NO5/c1-15(23(26)21(24)9-6-10-22(25)27-2)17-11-12-19-18(13-17)14-20(28-19)16-7-4-3-5-8-16/h3-5,7-8,11-15,26H,6,9-10H2,1-2H3
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| InChIKey |
KOEXUULRWRBMQW-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