General Information of the Compound
| Compound ID |
CP0134236
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| Compound Name |
2-[2-[2-(dimethylamino)ethoxy]phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
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| Structure |
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| Formula |
C29H32N2O4S
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| Molecular Weight |
504.652
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| Canonical SMILES |
CN(C)CCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1
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| InChI |
InChI=1S/C29H32N2O4S/c1-29(2,3)27(33)24-25(22-8-6-7-9-23(22)35-16-15-30(4)5)31(28(34)26(24)32)21-12-10-19(11-13-21)20-14-17-36-18-20/h6-14,17-18,25,32H,15-16H2,1-5H3
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| InChIKey |
RWZHELGYKXQYMX-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