General Information of the Compound
| Compound ID |
CP0888278
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| Compound Name |
2-[[[2-[(1-Iminoethyl)amino]ethyllthiolmethyl]-O-methyl-D-serine dihydrochloride
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| Structure |
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| Formula |
C8H20Cl2N4O3S
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| Molecular Weight |
323.246
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| Canonical SMILES |
COC[C@](N)(CSCCNC(=N)N)C(=O)O.Cl.Cl
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| InChI |
InChI=1S/C8H18N4O3S.2ClH/c1-15-4-8(11,6(13)14)5-16-3-2-12-7(9)10;;/h2-5,11H2,1H3,(H,13,14)(H4,9,10,12);2*1H/t8-;;/m0../s1
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| InChIKey |
HJBXSBPYGJZJML-JZGIKJSDSA-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