General Information of the Compound
| Compound ID |
CP0427750
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| Compound Name |
CHEMBL4239630
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| Formula |
C23H26F2O5
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| Molecular Weight |
420.452
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| Canonical SMILES |
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(C)c(OCCCC(O)=O)c(C)c1
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| InChI |
InChI=1S/C23H26F2O5/c1-13-7-15(8-14(2)23(13)29-6-4-5-21(26)27)19-11-18(12-20(24)22(19)25)30-17-9-16(10-17)28-3/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3,(H,26,27)/t16-,17-
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| InChIKey |
MIWHWLDDCINLRR-QAQDUYKDSA-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: PT04427, Free fatty acid receptor 4