General Information of the Compound
| Compound ID |
CP0919373
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| Compound Name |
S-[(1R)-2-[(1-Iminoethyl)amino]-1-methylethyl]-2-methyl-L-cysteine dihydrochloride
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| Structure |
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| Formula |
C8H20Cl2N4O2S
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| Molecular Weight |
307.247
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| Canonical SMILES |
C[C@H](CNC(=N)N)SC[C@](C)(N)C(=O)O.Cl.Cl
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| InChI |
InChI=1S/C8H18N4O2S.2ClH/c1-5(3-12-7(9)10)15-4-8(2,11)6(13)14;;/h5H,3-4,11H2,1-2H3,(H,13,14)(H4,9,10,12);2*1H/t5-,8+;;/m1../s1
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| InChIKey |
MTMKULHADXAYBJ-OYGJOVNFSA-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: PT01472, Nitric oxide synthase, inducible