General Information of the Compound
| Compound ID |
CP0425764
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| Compound Name |
US10100018, Example 77
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| Structure |
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| Formula |
C24H21FN2O4
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| Molecular Weight |
420.44
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| Canonical SMILES |
OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cn2)cc1
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| InChI |
InChI=1S/C24H21FN2O4/c25-20-3-1-2-4-22(20)31-19-11-12-21(26-13-19)23(28)27(14-16-5-6-16)15-17-7-9-18(10-8-17)24(29)30/h1-4,7-13,16H,5-6,14-15H2,(H,29,30)
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| InChIKey |
IGYITFLQCJEIPG-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