General Information of the Compound
| Compound ID |
CP0743881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
S-[2-(1-Iminoethylamino)ethyl]-2-methyl-(D/L)-cysteine bistrifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H18F6N4O6S
|
||||||||||||||||||
| Molecular Weight |
448.342
|
||||||||||||||||||
| Canonical SMILES |
CC(N)(CSCCNC(=N)N)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C7H16N4O2S.2C2HF3O2/c1-7(10,5(12)13)4-14-3-2-11-6(8)9;2*3-2(4,5)1(6)7/h2-4,10H2,1H3,(H,12,13)(H4,8,9,11);2*(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSWKVCNKIGCJLV-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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