General Information of the Compound
| Compound ID |
CP0406648
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| Compound Name |
US10100018, Example 31
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| Structure |
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| Formula |
C26H25NO5
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| Molecular Weight |
431.488
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| Canonical SMILES |
COc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H25NO5/c1-31-23-4-2-3-5-24(23)32-22-14-12-20(13-15-22)25(28)27(16-18-6-7-18)17-19-8-10-21(11-9-19)26(29)30/h2-5,8-15,18H,6-7,16-17H2,1H3,(H,29,30)
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| InChIKey |
UCZBTVNWIVAWQV-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