General Information of the Compound
| Compound ID |
CP0415750
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| Compound Name |
(S)-2-Ethoxy-3-(3-(5-(4-hydroxyphenyl)-4,5-dihydroisoxazol-3-yl)phenyl)propanoic Acid
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| Structure |
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| Formula |
C20H21NO5
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| Molecular Weight |
355.39
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| Canonical SMILES |
CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(O)cc1)C(O)=O
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| InChI |
InChI=1S/C20H21NO5/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-21-17)14-6-8-16(22)9-7-14/h3-10,18-19,22H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
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| InChIKey |
FWRDAAGGAAIUDI-GGYWPGCISA-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