General Information of the Compound
| Compound ID |
CP0372687
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| Compound Name |
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)-5-iodopyrimidine-2,4-dione
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| Structure |
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| Formula |
C15H14IN3O6
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| Molecular Weight |
459.196
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| Canonical SMILES |
N[C@@H](Cn1cc(I)c(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
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| InChI |
InChI=1S/C15H14IN3O6/c16-10-6-18(7-11(17)14(23)24)15(25)19(12(10)20)5-8-3-1-2-4-9(8)13(21)22/h1-4,6,11H,5,7,17H2,(H,21,22)(H,23,24)/t11-/m0/s1
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| InChIKey |
HZEJBGVIAXRMKT-NSHDSACASA-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