General Information of the Compound
| Compound ID |
CP0400503
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| Compound Name |
US10100018, Example 28
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| Structure |
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| Formula |
C24H23NO5
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| Molecular Weight |
405.45
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| Canonical SMILES |
CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2OC)cc1
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| InChI |
InChI=1S/C24H23NO5/c1-3-25(16-17-8-10-19(11-9-17)24(27)28)23(26)18-12-14-20(15-13-18)30-22-7-5-4-6-21(22)29-2/h4-15H,3,16H2,1-2H3,(H,27,28)
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| InChIKey |
LJVDDAKSLFFVPC-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