General Information of the Compound
| Compound ID |
CP0275752
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| Compound Name |
(S)-2-Amino-5-(2,6-dinitro-phenylamino)-pentanoic acid
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| Structure |
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| Formula |
C11H14N4O6
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| Molecular Weight |
298.255
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| Canonical SMILES |
N[C@@H](CCCNc1c(cccc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C11H14N4O6/c12-7(11(16)17)3-2-6-13-10-8(14(18)19)4-1-5-9(10)15(20)21/h1,4-5,7,13H,2-3,6,12H2,(H,16,17)/t7-/m0/s1
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| InChIKey |
AXXNIZMBQBLCKJ-ZETCQYMHSA-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