General Information of the Compound
| Compound ID |
CP0501236
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| Compound Name |
2-[1-[4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]-2-methylbenzoyl]-2-methylindol-3-yl]acetic acid
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| Structure |
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| Formula |
C28H25NO5
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| Molecular Weight |
455.51
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| Canonical SMILES |
Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1C
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| InChI |
InChI=1S/C28H25NO5/c1-17-13-20(33-16-21-14-19-7-3-6-10-26(19)34-21)11-12-22(17)28(32)29-18(2)24(15-27(30)31)23-8-4-5-9-25(23)29/h3-13,21H,14-16H2,1-2H3,(H,30,31)/t21-/m0/s1
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| InChIKey |
JEORYEVIWMUWRC-NRFANRHFSA-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