General Information of the Compound
| Compound ID |
CP0425729
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| Compound Name |
3-cyclopropyl-3-[3-[[1-[5-methoxy-2-[[methyl(2-methylpropyl)amino]methyl]phenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C31H44N2O4
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| Molecular Weight |
508.703
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| Canonical SMILES |
COc1ccc(CN(C)CC(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
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| InChI |
InChI=1S/C31H44N2O4/c1-22(2)19-32(3)20-26-10-11-27(36-4)17-30(26)33-14-12-23(13-15-33)21-37-28-7-5-6-25(16-28)29(18-31(34)35)24-8-9-24/h5-7,10-11,16-17,22-24,29H,8-9,12-15,18-21H2,1-4H3,(H,34,35)
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| InChIKey |
UUQFCXVQVWYJQB-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