General Information of the Compound
| Compound ID |
CP0431700
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| Compound Name |
2-[1-[4-(1,3-benzodioxol-2-ylmethoxy)-2-methylbenzoyl]-2-methylindol-3-yl]acetic acid
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| Structure |
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| Formula |
C27H23NO6
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| Molecular Weight |
457.482
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| Canonical SMILES |
Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OCC2Oc3ccccc3O2)cc1C
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| InChI |
InChI=1S/C27H23NO6/c1-16-13-18(32-15-26-33-23-9-5-6-10-24(23)34-26)11-12-19(16)27(31)28-17(2)21(14-25(29)30)20-7-3-4-8-22(20)28/h3-13,26H,14-15H2,1-2H3,(H,29,30)
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| InChIKey |
ZTMYNGIJGRJYSF-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: PT02279, Prostacyclin receptor
Protein ID: PT02987, Prostaglandin D2 receptor