General Information of the Compound
| Compound ID |
CP0532786
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| Compound Name |
3-cyclopropyl-3-[3-[[1-[5-methoxy-2-[methyl(phenyl)carbamoyl]phenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C33H38N2O5
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| Molecular Weight |
542.676
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| Canonical SMILES |
COc1ccc(C(=O)N(C)c2ccccc2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
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| InChI |
InChI=1S/C33H38N2O5/c1-34(26-8-4-3-5-9-26)33(38)29-14-13-27(39-2)20-31(29)35-17-15-23(16-18-35)22-40-28-10-6-7-25(19-28)30(21-32(36)37)24-11-12-24/h3-10,13-14,19-20,23-24,30H,11-12,15-18,21-22H2,1-2H3,(H,36,37)
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| InChIKey |
XYDVCLMTZYGXEN-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