General Information of the Compound
| Compound ID |
CP0445208
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| Compound Name |
US10100018, Example 85
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| Structure |
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| Formula |
C23H23N3O5
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| Molecular Weight |
421.453
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| Canonical SMILES |
CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ncc(Oc2ccccc2OC)cn1
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| InChI |
InChI=1S/C23H23N3O5/c1-3-12-26(15-16-8-10-17(11-9-16)23(28)29)22(27)21-24-13-18(14-25-21)31-20-7-5-4-6-19(20)30-2/h4-11,13-14H,3,12,15H2,1-2H3,(H,28,29)
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| InChIKey |
WBAUSFZQQFMBCS-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