General Information of the Compound
| Compound ID |
CP0458866
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| Compound Name |
(S)-2-(3-((S)-carboxy(4-hydroxyphenyl)methyl)ureido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C15H20N2O6
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| Molecular Weight |
324.333
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC(C(O)=O)c1ccc(O)cc1)C(O)=O
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| InChI |
InChI=1S/C15H20N2O6/c1-8(2)7-11(13(19)20)16-15(23)17-12(14(21)22)9-3-5-10(18)6-4-9/h3-6,8,11-12,18H,7H2,1-2H3,(H,19,20)(H,21,22)(H2,16,17,23)/t11-,12?/m0/s1
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| InChIKey |
YHDSEMIOZROSIQ-PXYINDEMSA-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