General Information of the Compound
| Compound ID |
CP0493112
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| Compound Name |
US10100018, Example 80
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| Structure |
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| Formula |
C25H24FNO5
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| Molecular Weight |
437.467
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| Canonical SMILES |
CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccc(F)cc2OC)cc1
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| InChI |
InChI=1S/C25H24FNO5/c1-3-14-27(16-17-4-6-19(7-5-17)25(29)30)24(28)18-8-11-21(12-9-18)32-22-13-10-20(26)15-23(22)31-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30)
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| InChIKey |
LJTQGSYFZPTOOH-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: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT05651, Lysophosphatidic acid receptor 5