General Information of the Compound
| Compound ID |
CP0531925
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| Compound Name |
2-tert-butyl-4-[3-methyl-2-(phenoxymethyl)benzimidazol-5-yl]oxyphenol
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| Formula |
C25H26N2O3
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| Molecular Weight |
402.494
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| Canonical SMILES |
Cn1c(COc2ccccc2)nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc12
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| InChI |
InChI=1S/C25H26N2O3/c1-25(2,3)20-14-18(11-13-23(20)28)30-19-10-12-21-22(15-19)27(4)24(26-21)16-29-17-8-6-5-7-9-17/h5-15,28H,16H2,1-4H3
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| InChIKey |
HAUIQQVRNSGIBT-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
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT02513, Steroid hormone receptor ERR1