General Information of the Compound
| Compound ID |
CP0837701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(N-(1-(4-Amidiniobenzylamino)-1-oxo-3-phenylpropan-2-yl)sulfamoyl)benzamidinium bis(trifluoroacetate)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28F6N6O7S
|
||||||||||||||||||
| Molecular Weight |
706.622
|
||||||||||||||||||
| Canonical SMILES |
N=C(N)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N6O3S.2C2HF3O2/c25-22(26)18-11-9-17(10-12-18)15-29-24(31)21(13-16-5-2-1-3-6-16)30-34(32,33)20-8-4-7-19(14-20)23(27)28;2*3-2(4,5)1(6)7/h1-12,14,21,30H,13,15H2,(H3,25,26)(H3,27,28)(H,29,31);2*(H,6,7)/t21-;;/m1../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUMRNNHEPJYCNI-GHVWMZMZSA-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