General Information of the Compound
| Compound ID |
CP0448799
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| Compound Name |
(S)-2-Amino-5-(5-methyl-2-nitro-phenylamino)-pentanoic acid
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| Structure |
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| Formula |
C12H17N3O4
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| Molecular Weight |
267.285
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| Canonical SMILES |
Cc1ccc(c(NCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C12H17N3O4/c1-8-4-5-11(15(18)19)10(7-8)14-6-2-3-9(13)12(16)17/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)/t9-/m0/s1
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| InChIKey |
VERPLHRIXBHYFT-VIFPVBQESA-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
Protein ID: PT01594, Nitric oxide synthase 3
Protein ID: PT01718, Nitric oxide synthase, inducible