General Information of the Compound
| Compound ID |
CP0526813
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| Compound Name |
(S)-2-(3-((S)-1-Carboxy-3-(methylthio)propyl)ureido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C13H24N2O5S
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| Molecular Weight |
320.411
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| Canonical SMILES |
CSCCC[C@H](NC(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C13H24N2O5S/c1-8(2)7-10(12(18)19)15-13(20)14-9(11(16)17)5-4-6-21-3/h8-10H,4-7H2,1-3H3,(H,16,17)(H,18,19)(H2,14,15,20)/t9-,10-/m0/s1
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| InChIKey |
YTCZLXKHXHDWEX-UWVGGRQHSA-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