General Information of the Compound
| Compound ID |
CP0400496
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| Compound Name |
US10100018, Example 47
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| Structure |
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| Formula |
C31H29NO4
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| Molecular Weight |
479.576
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| Canonical SMILES |
Cc1cccc(C)c1Oc1ccc(cc1)C(=O)N(CCc1ccccc1)Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C31H29NO4/c1-22-7-6-8-23(2)29(22)36-28-17-15-26(16-18-28)30(33)32(20-19-24-9-4-3-5-10-24)21-25-11-13-27(14-12-25)31(34)35/h3-18H,19-21H2,1-2H3,(H,34,35)
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| InChIKey |
XTKOCFGCADABCN-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