General Information of the Compound
| Compound ID |
CP0422243
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| Compound Name |
(3S)-3-[4-[[4-[(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)methyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Formula |
C33H33NO5
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| Molecular Weight |
523.629
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1
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| InChI |
InChI=1S/C33H33NO5/c1-2-5-27(20-32(36)37)26-12-14-28(15-13-26)38-23-25-10-8-24(9-11-25)22-34-18-16-33(17-19-34)21-30(35)29-6-3-4-7-31(29)39-33/h3-4,6-15,27H,16-23H2,1H3,(H,36,37)/t27-/m0/s1
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| InChIKey |
CEVBGMGJZAYACN-MHZLTWQESA-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: PT04613, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1
Protein ID: PT02793, Free fatty acid receptor 1