General Information of the Compound
| Compound ID |
CP0481065
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| Compound Name |
3-[[1-[5-[(3-butoxybenzoyl)amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C29H33N3O5
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| Molecular Weight |
503.599
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| Canonical SMILES |
CCCCOc1cccc(c1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
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| InChI |
InChI=1S/C29H33N3O5/c1-2-3-16-36-25-8-4-6-22(17-25)28(33)31-24-10-11-27(30-19-24)32-14-12-21(13-15-32)20-37-26-9-5-7-23(18-26)29(34)35/h4-11,17-19,21H,2-3,12-16,20H2,1H3,(H,31,33)(H,34,35)
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| InChIKey |
KRCRMMQFQQFARB-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