General Information of the Compound
| Compound ID |
CP0262114
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| Compound Name |
4-[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methylindol-3-yl]butanoic acid
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| Structure |
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| Formula |
C23H27NO3
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| Molecular Weight |
365.473
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| Canonical SMILES |
CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O
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| InChI |
InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27)
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| InChIKey |
PYFRUYFQSHPGDE-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