General Information of the Compound
| Compound ID |
CP0189671
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| Compound Name |
3-[1-(4-Acetyl-phenyl)-5-(4-methoxy-phenyl)-1H-pyrrol-2-yl]-propionic acid
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| Structure |
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| Formula |
C22H21NO4
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| Molecular Weight |
363.413
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(CCC(O)=O)n1-c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C22H21NO4/c1-15(24)16-3-7-18(8-4-16)23-19(10-14-22(25)26)9-13-21(23)17-5-11-20(27-2)12-6-17/h3-9,11-13H,10,14H2,1-2H3,(H,25,26)
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| InChIKey |
VJZKDNLUHNLJEZ-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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