General Information of the Compound
| Compound ID |
CP0400487
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| Compound Name |
US10100018, Example 4
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| Structure |
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| Formula |
C25H24FNO4
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| Molecular Weight |
421.468
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| Canonical SMILES |
CC(C)CN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
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| InChI |
InChI=1S/C25H24FNO4/c1-17(2)15-27(16-18-7-9-20(10-8-18)25(29)30)24(28)19-11-13-21(14-12-19)31-23-6-4-3-5-22(23)26/h3-14,17H,15-16H2,1-2H3,(H,29,30)
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| InChIKey |
CMQWTHVXHRXUNC-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