General Information of the Compound
| Compound ID |
CP0507248
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| Compound Name |
US10100018, Example 66
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| Structure |
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| Formula |
C26H24FNO5
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| Molecular Weight |
449.478
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| Canonical SMILES |
COc1ccccc1Oc1ccc(C(=O)N(CC2CC2)Cc2ccc(cc2)C(O)=O)c(F)c1
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| InChI |
InChI=1S/C26H24FNO5/c1-32-23-4-2-3-5-24(23)33-20-12-13-21(22(27)14-20)25(29)28(15-17-6-7-17)16-18-8-10-19(11-9-18)26(30)31/h2-5,8-14,17H,6-7,15-16H2,1H3,(H,30,31)
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| InChIKey |
KBJKDHCJCODDDD-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