General Information of the Compound
| Compound ID |
CP0746845
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| Compound Name |
S-[2-[(1-Iminoethyl)aminolethyl]-2-methyl-L-cysteine dihydrochloride
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| Structure |
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| Formula |
C7H18Cl2N4O2S
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| Molecular Weight |
293.22
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| Canonical SMILES |
C[C@](N)(CSCCNC(=N)N)C(=O)O.Cl.Cl
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| InChI |
InChI=1S/C7H16N4O2S.2ClH/c1-7(10,5(12)13)4-14-3-2-11-6(8)9;;/h2-4,10H2,1H3,(H,12,13)(H4,8,9,11);2*1H/t7-;;/m0../s1
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| InChIKey |
GGNXGWZVWYPKDE-KLXURFKVSA-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