General Information of the Compound
| Compound ID |
CP0544042
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| Compound Name |
3-[[1-[5-(naphthalene-2-carbonylamino)pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C29H27N3O4
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| Molecular Weight |
481.552
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| Canonical SMILES |
OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3ccc4ccccc4c3)cn2)c1
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| InChI |
InChI=1S/C29H27N3O4/c33-28(23-9-8-21-4-1-2-5-22(21)16-23)31-25-10-11-27(30-18-25)32-14-12-20(13-15-32)19-36-26-7-3-6-24(17-26)29(34)35/h1-11,16-18,20H,12-15,19H2,(H,31,33)(H,34,35)
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| InChIKey |
DUMFBZMVQSLDHV-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