General Information of the Compound
| Compound ID |
CP0400492
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| Compound Name |
US10100018, Example 18
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| Structure |
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| Formula |
C31H26FNO4
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| Molecular Weight |
495.55
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| Canonical SMILES |
OC(=O)c1ccc(CN(CC2CC2c2ccccc2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
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| InChI |
InChI=1S/C31H26FNO4/c32-28-8-4-5-9-29(28)37-26-16-14-23(15-17-26)30(34)33(19-21-10-12-24(13-11-21)31(35)36)20-25-18-27(25)22-6-2-1-3-7-22/h1-17,25,27H,18-20H2,(H,35,36)
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| InChIKey |
FDOHMOXGKUEJTN-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