General Information of the Compound
| Compound ID |
CP0452557
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| Compound Name |
2-(4-Hydroxy-3-methoxyphenyl)-2-(3-((S)-1-isopropoxy-4-methyl-1-oxopentan-2-yl)ureido)acetic acid
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| Structure |
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| Formula |
C19H28N2O7
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| Molecular Weight |
396.44
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| Canonical SMILES |
COc1cc(ccc1O)C(NC(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)C(O)=O
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| InChI |
InChI=1S/C19H28N2O7/c1-10(2)8-13(18(25)28-11(3)4)20-19(26)21-16(17(23)24)12-6-7-14(22)15(9-12)27-5/h6-7,9-11,13,16,22H,8H2,1-5H3,(H,23,24)(H2,20,21,26)/t13-,16?/m0/s1
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| InChIKey |
YQJSQMAWGJFPNF-KNVGNIICSA-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