General Information of the Compound
| Compound ID |
CP0393430
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| Compound Name |
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)-5-nitropyrimidine-2,4-dione
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| Structure |
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| Formula |
C10H12N4O8
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| Molecular Weight |
316.226
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| Canonical SMILES |
N[C@@H](Cn1cc([N+]([O-])=O)c(=O)n(CCC(O)=O)c1=O)C(O)=O
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| InChI |
InChI=1S/C10H12N4O8/c11-5(9(18)19)3-12-4-6(14(21)22)8(17)13(10(12)20)2-1-7(15)16/h4-5H,1-3,11H2,(H,15,16)(H,18,19)/t5-/m0/s1
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| InChIKey |
USLMBZUHALNLAG-YFKPBYRVSA-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