General Information of the Compound
| Compound ID |
CP0456474
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| Compound Name |
(S)-1-(2-amino-2-carboxyethyl)-3-(4-sulfobenzyl)pyrimidine-2,4-dione
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| Structure |
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| Formula |
C14H15N3O7S
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| Molecular Weight |
369.355
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| Canonical SMILES |
N[C@@H](Cn1ccc(=O)n(Cc2ccc(cc2)S(O)(=O)=O)c1=O)C(O)=O
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| InChI |
InChI=1S/C14H15N3O7S/c15-11(13(19)20)8-16-6-5-12(18)17(14(16)21)7-9-1-3-10(4-2-9)25(22,23)24/h1-6,11H,7-8,15H2,(H,19,20)(H,22,23,24)/t11-/m0/s1
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| InChIKey |
GLDOLXHQGHKSAD-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