General Information of the Compound
| Compound ID |
CP0410166
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| Compound Name |
3-[4-[[4-(1-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C26H34ClNO4
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| Molecular Weight |
460.014
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| Canonical SMILES |
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CCCCO4)CC3)cc2)cc1
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| InChI |
InChI=1S/C26H33NO4/c28-25(29)12-9-21-7-10-24(11-8-21)30-20-23-5-3-22(4-6-23)19-27-16-14-26(15-17-27)13-1-2-18-31-26/h3-8,10-11H,1-2,9,12-20H2,(H,28,29)
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| InChIKey |
JIVBMSPODOCBON-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