General Information of the Compound
| Compound ID |
CP0435992
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| Compound Name |
2-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(pentanoyl)amino]phenyl]acetic acid
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| Structure |
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| Formula |
C22H25NO5
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| Molecular Weight |
383.444
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc2OCCOc2c1)c1cccc(CC(O)=O)c1
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| InChI |
InChI=1S/C22H25NO5/c1-2-3-7-21(24)23(18-6-4-5-16(12-18)14-22(25)26)15-17-8-9-19-20(13-17)28-11-10-27-19/h4-6,8-9,12-13H,2-3,7,10-11,14-15H2,1H3,(H,25,26)
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| InChIKey |
CATJJULLKBWVKQ-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