General Information of the Compound
| Compound ID |
CP0564413
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| Compound Name |
2-[4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]phenyl]acetic acid
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| Structure |
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| Formula |
C19H21NO5
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| Molecular Weight |
343.379
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| Canonical SMILES |
Cc1cccc(OCCNC(=O)COc2ccc(CC(O)=O)cc2)c1
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| InChI |
InChI=1S/C19H21NO5/c1-14-3-2-4-17(11-14)24-10-9-20-18(21)13-25-16-7-5-15(6-8-16)12-19(22)23/h2-8,11H,9-10,12-13H2,1H3,(H,20,21)(H,22,23)
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| InChIKey |
RRIXASOOURNNQY-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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