General Information of the Compound
| Compound ID |
CP0421001
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| Compound Name |
(3R)-6-[2-[[2-(4-cyanophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(cc1)C#N)CC(O)=O
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| InChI |
InChI=1S/C25H27N3O3/c1-18(14-24(29)30)6-5-13-31-23-8-4-3-7-22(23)17-28-19(2)16-27-25(28)21-11-9-20(15-26)10-12-21/h3-4,7-12,16,18H,5-6,13-14,17H2,1-2H3,(H,29,30)/t18-/m1/s1
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| InChIKey |
MUPHBMQCCIHZGE-GOSISDBHSA-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