General Information of the Compound
| Compound ID |
CP0183956
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| Compound Name |
4-((S)-4-Amino-4-carboxy-butylamino)-3-nitro-benzoic acid
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| Structure |
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| Formula |
C12H15N3O6
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| Molecular Weight |
297.267
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| Canonical SMILES |
N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C12H15N3O6/c13-8(12(18)19)2-1-5-14-9-4-3-7(11(16)17)6-10(9)15(20)21/h3-4,6,8,14H,1-2,5,13H2,(H,16,17)(H,18,19)/t8-/m0/s1
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| InChIKey |
FULYHOXMRCCROA-QMMMGPOBSA-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