General Information of the Compound
| Compound ID |
CP0384811
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| Compound Name |
US10100018, Example 60
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| Structure |
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| Formula |
C24H22FNO4
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| Molecular Weight |
407.441
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| Canonical SMILES |
CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
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| InChI |
InChI=1S/C24H22FNO4/c1-2-15-26(16-17-7-9-19(10-8-17)24(28)29)23(27)18-11-13-20(14-12-18)30-22-6-4-3-5-21(22)25/h3-14H,2,15-16H2,1H3,(H,28,29)
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| InChIKey |
SOSAKGSLKXKLFU-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