General Information of the Compound
| Compound ID |
CP0373158
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| Compound Name |
(S)-2-Amino-5-(5-methyl-2-nitro-phenylsulfanyl)-pentanoic acid
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| Structure |
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| Formula |
C12H16N2O4S
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| Molecular Weight |
284.337
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| Canonical SMILES |
Cc1ccc(c(SCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C12H16N2O4S/c1-8-4-5-10(14(17)18)11(7-8)19-6-2-3-9(13)12(15)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,15,16)/t9-/m0/s1
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| InChIKey |
CBTXALVVNCZYTJ-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