General Information of the Compound
| Compound ID |
CP0076766
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| Compound Name |
3-Ethyl-6-hydroxy-2-(4-hydroxy-phenyl)-1H-indene-1-carboxylic acid [4-(2-piperidin-1-yl-ethoxy)-phenyl]-amide
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| Structure |
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| Formula |
C31H34N2O4
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| Molecular Weight |
498.623
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| Canonical SMILES |
CCC1=C(C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc12)c1ccc(O)cc1
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| InChI |
InChI=1S/C31H34N2O4/c1-2-26-27-15-12-24(35)20-28(27)30(29(26)21-6-10-23(34)11-7-21)31(36)32-22-8-13-25(14-9-22)37-19-18-33-16-4-3-5-17-33/h6-15,20,30,34-35H,2-5,16-19H2,1H3,(H,32,36)
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| InChIKey |
BDMZTIOJCDWABL-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