General Information of the Compound
| Compound ID |
CP0493113
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| Compound Name |
US10100018, Example 83
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| Structure |
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| Formula |
C23H20FN3O4
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| Molecular Weight |
421.428
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| Canonical SMILES |
OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ncc(Oc3ccccc3F)cn2)cc1
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| InChI |
InChI=1S/C23H20FN3O4/c24-19-3-1-2-4-20(19)31-18-11-25-21(26-12-18)22(28)27(13-15-5-6-15)14-16-7-9-17(10-8-16)23(29)30/h1-4,7-12,15H,5-6,13-14H2,(H,29,30)
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| InChIKey |
TXROCRKOYMGIGD-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