General Information of the Compound
| Compound ID |
CP0480877
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| Compound Name |
US10100018, Example 45
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| Structure |
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| Formula |
C28H31NO4
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| Molecular Weight |
445.559
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| Canonical SMILES |
CC(C)CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2c(C)cccc2C)cc1
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| InChI |
InChI=1S/C28H31NO4/c1-19(2)16-17-29(18-22-8-10-24(11-9-22)28(31)32)27(30)23-12-14-25(15-13-23)33-26-20(3)6-5-7-21(26)4/h5-15,19H,16-18H2,1-4H3,(H,31,32)
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| InChIKey |
XWQJXYFTQBSZFA-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