General Information of the Compound
| Compound ID |
CP0555828
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| Compound Name |
US9688642, 6
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| Structure |
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| Formula |
C30H32FN3O4
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| Molecular Weight |
517.601
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1N1CC2(CCC2)C1
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| InChI |
InChI=1S/C30H32FN3O4/c1-37-22-8-9-26(31)25(13-22)28-29(34-17-30(18-34)10-3-11-30)33-21(15-32-28)16-38-23-5-2-4-20(12-23)24(14-27(35)36)19-6-7-19/h2,4-5,8-9,12-13,15,19,24H,3,6-7,10-11,14,16-18H2,1H3,(H,35,36)/t24-/m0/s1
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| InChIKey |
JYLWVVVEZCMZEJ-DEOSSOPVSA-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