General Information of the Compound
| Compound ID |
CP0541695
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| Compound Name |
(S)-2-Amino-4-(5-methyl-2-nitro-phenylamino)-butyric acid
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| Structure |
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| Formula |
C11H15N3O4
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| Molecular Weight |
253.258
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| Canonical SMILES |
Cc1ccc(c(NCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C11H15N3O4/c1-7-2-3-10(14(17)18)9(6-7)13-5-4-8(12)11(15)16/h2-3,6,8,13H,4-5,12H2,1H3,(H,15,16)/t8-/m0/s1
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| InChIKey |
UMVISFHDEGYFMH-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