General Information of the Compound
| Compound ID |
CP0480880
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| Compound Name |
US10100018, Example 69
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| Structure |
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| Formula |
C25H24N2O5
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| Molecular Weight |
432.476
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| Canonical SMILES |
COc1ccccc1Oc1ccc(nc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H24N2O5/c1-31-22-4-2-3-5-23(22)32-20-12-13-21(26-14-20)24(28)27(15-17-6-7-17)16-18-8-10-19(11-9-18)25(29)30/h2-5,8-14,17H,6-7,15-16H2,1H3,(H,29,30)
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| InChIKey |
AXNASFMPKJGIGO-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