General Information of the Compound
| Compound ID |
CP0139972
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| Compound Name |
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one
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| Structure |
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| Formula |
C27H27NO5S
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| Molecular Weight |
477.582
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| Canonical SMILES |
CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C27H27NO5S/c1-27(2,3)25(31)22-23(19-7-4-5-8-20(19)33-15-14-29)28(26(32)24(22)30)18-12-10-17(11-13-18)21-9-6-16-34-21/h4-13,16,23,29-30H,14-15H2,1-3H3
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| InChIKey |
KXPWMTRPMPVERN-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