General Information of the Compound
| Compound ID |
CP0532787
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| Compound Name |
3-cyclopropyl-3-[3-[[1-(5-methoxy-2-propan-2-ylphenyl)piperidin-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C28H37NO4
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| Molecular Weight |
451.607
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| Canonical SMILES |
COc1ccc(C(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
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| InChI |
InChI=1S/C28H37NO4/c1-19(2)25-10-9-23(32-3)16-27(25)29-13-11-20(12-14-29)18-33-24-6-4-5-22(15-24)26(17-28(30)31)21-7-8-21/h4-6,9-10,15-16,19-21,26H,7-8,11-14,17-18H2,1-3H3,(H,30,31)
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| InChIKey |
DFAWSTFKUCSYDJ-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