General Information of the Compound
| Compound ID |
CP0429496
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| Compound Name |
2-[2-methyl-1-[2-methyl-4-[(1-methyl-2,3-dihydroindol-2-yl)methoxy]benzoyl]indol-3-yl]acetic acid
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| Structure |
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| Formula |
C29H28N2O4
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| Molecular Weight |
468.553
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| Canonical SMILES |
CN1C(COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(C)c2)Cc2ccccc12
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| InChI |
InChI=1S/C29H28N2O4/c1-18-14-22(35-17-21-15-20-8-4-6-10-26(20)30(21)3)12-13-23(18)29(34)31-19(2)25(16-28(32)33)24-9-5-7-11-27(24)31/h4-14,21H,15-17H2,1-3H3,(H,32,33)
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| InChIKey |
OMSPXIRBZDJEKN-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