General Information of the Compound
| Compound ID |
CP0451440
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| Compound Name |
US10100018, Example 3
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| Structure |
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| Formula |
C23H17F4NO4
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| Molecular Weight |
447.384
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| Canonical SMILES |
OC(=O)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
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| InChI |
InChI=1S/C23H17F4NO4/c24-19-3-1-2-4-20(19)32-18-11-9-16(10-12-18)21(29)28(14-23(25,26)27)13-15-5-7-17(8-6-15)22(30)31/h1-12H,13-14H2,(H,30,31)
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| InChIKey |
IEJGGFJTLXGJPD-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