General Information of the Compound
| Compound ID |
CP0422238
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| Compound Name |
3-[2-chloro-4-[[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C30H30ClNO3
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| Molecular Weight |
488.027
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1Cl
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| InChI |
InChI=1S/C30H30ClNO3/c31-28-19-26(11-9-25(28)10-12-29(33)34)35-21-23-7-5-22(6-8-23)20-32-17-15-30(16-18-32)14-13-24-3-1-2-4-27(24)30/h1-9,11,13-14,19H,10,12,15-18,20-21H2,(H,33,34)
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| InChIKey |
LFJKGEYLBWLFPM-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: PT04613, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1