General Information of the Compound
| Compound ID |
CP0400943
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| Compound Name |
3-[4-[[4-[[4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]phenyl]methoxy]phenyl]propanoic acid;hydrochloride
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| Structure |
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| Formula |
C34H42ClNO5
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| Molecular Weight |
580.165
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| Canonical SMILES |
Cl.COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
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| InChI |
InChI=1S/C34H41NO5.ClH/c1-38-31-11-8-27(9-12-31)22-30-16-21-40-34(23-30)17-19-35(20-18-34)24-28-2-4-29(5-3-28)25-39-32-13-6-26(7-14-32)10-15-33(36)37;/h2-9,11-14,30H,10,15-25H2,1H3,(H,36,37);1H
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| InChIKey |
LVEDMCRSHKYPOT-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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT04096, Free fatty acid receptor 2
Protein ID: PT03133, Free fatty acid receptor 3
Protein ID: PT04427, Free fatty acid receptor 4