General Information of the Compound
| Compound ID |
CP0555829
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| Compound Name |
US9688642, 14
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| Structure |
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| Formula |
C28H31FN2O5
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| Molecular Weight |
494.563
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC(C)C
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| InChI |
InChI=1S/C28H31FN2O5/c1-17(2)15-36-28-27(24-12-21(34-3)9-10-25(24)29)30-14-20(31-28)16-35-22-6-4-5-19(11-22)23(13-26(32)33)18-7-8-18/h4-6,9-12,14,17-18,23H,7-8,13,15-16H2,1-3H3,(H,32,33)/t23-/m0/s1
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| InChIKey |
JCCLBNNUYSQXLM-QHCPKHFHSA-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: PT02522, Free fatty acid receptor 1