General Information of the Compound
| Compound ID |
CP0902858
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| Compound Name |
2-[[[[2-(1-Iminoethyl)amino]ethyl]thio]methyl]-D-valine dihydrochloride
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| Structure |
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| Formula |
C9H22Cl2N4O2S
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| Molecular Weight |
321.274
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| Canonical SMILES |
CC(C)[C@](N)(CSCCNC(=N)N)C(=O)O.Cl.Cl
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| InChI |
InChI=1S/C9H20N4O2S.2ClH/c1-6(2)9(12,7(14)15)5-16-4-3-13-8(10)11;;/h6H,3-5,12H2,1-2H3,(H,14,15)(H4,10,11,13);2*1H/t9-;;/m1../s1
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| InChIKey |
CPJUXTIAAQNFHS-KLQYNRQASA-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: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible