General Information of the Compound
| Compound ID |
CP0493155
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| Compound Name |
US10100018, Example 8
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| Structure |
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| Formula |
C26H26FNO4
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| Molecular Weight |
435.495
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| Canonical SMILES |
CC(C)CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
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| InChI |
InChI=1S/C26H26FNO4/c1-18(2)15-16-28(17-19-7-9-21(10-8-19)26(30)31)25(29)20-11-13-22(14-12-20)32-24-6-4-3-5-23(24)27/h3-14,18H,15-17H2,1-2H3,(H,30,31)
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| InChIKey |
XGFDCDKWZWQHSI-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