General Information of the Compound
| Compound ID |
CP0560086
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| Compound Name |
3-cyclopropyl-3-[3-[[1-[2-(3-hydroxy-3-methylbutyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C30H41NO5
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| Molecular Weight |
495.66
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| Canonical SMILES |
COc1ccc(CCC(C)(C)O)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
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| InChI |
InChI=1S/C30H41NO5/c1-30(2,34)14-11-23-9-10-25(35-3)18-28(23)31-15-12-21(13-16-31)20-36-26-6-4-5-24(17-26)27(19-29(32)33)22-7-8-22/h4-6,9-10,17-18,21-22,27,34H,7-8,11-16,19-20H2,1-3H3,(H,32,33)
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| InChIKey |
AAYWVTOWQJBOQO-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