General Information of the Compound
| Compound ID |
CP0425765
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| Compound Name |
US10100018, Example 24
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| Structure |
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| Formula |
C29H25NO4
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| Molecular Weight |
451.522
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| Canonical SMILES |
Cc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H25NO4/c1-21-7-5-6-10-27(21)34-26-17-15-24(16-18-26)28(31)30(19-22-8-3-2-4-9-22)20-23-11-13-25(14-12-23)29(32)33/h2-18H,19-20H2,1H3,(H,32,33)
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| InChIKey |
SRMPREPTJSSCOQ-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