General Information of the Compound
| Compound ID |
CP0484560
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| Compound Name |
(3S)-3-ethoxy-3-[4-[(7-methyl-1,2-benzoxazol-3-yl)oxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H19NO5
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| Molecular Weight |
341.363
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| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(Oc2noc3c(C)cccc23)cc1
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| InChI |
InChI=1S/C19H19NO5/c1-3-23-16(11-17(21)22)13-7-9-14(10-8-13)24-19-15-6-4-5-12(2)18(15)25-20-19/h4-10,16H,3,11H2,1-2H3,(H,21,22)/t16-/m0/s1
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| InChIKey |
RDRIKQXPYNRWJO-INIZCTEOSA-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