General Information of the Compound
| Compound ID |
CP0558830
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| Compound Name |
3-[4-[[4-[(4-pyridin-2-yloxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methyl]phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C31H36N2O5
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| Molecular Weight |
516.638
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)Oc3ccccn3)cc2)cc1
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| InChI |
InChI=1S/C31H36N2O5/c34-30(35)13-10-24-8-11-27(12-9-24)36-23-26-6-4-25(5-7-26)22-33-18-15-31(16-19-33)21-28(14-20-37-31)38-29-3-1-2-17-32-29/h1-9,11-12,17,28H,10,13-16,18-23H2,(H,34,35)
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| InChIKey |
DEYQONOAYIGYQY-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