General Information of the Compound
| Compound ID |
CP0946462
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6-((Biphenyl-4-ylmethyl)(pyridin-3-ylsulfonyl)aminomethyl)-pyridin-2-ylamino)acetic Acid Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25ClN4O4S
|
||||||||||||||||||
| Molecular Weight |
525.03
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2cccnc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24N4O4S.ClH/c31-26(32)17-28-25-10-4-8-23(29-25)19-30(35(33,34)24-9-5-15-27-16-24)18-20-11-13-22(14-12-20)21-6-2-1-3-7-21;/h1-16H,17-19H2,(H,28,29)(H,31,32);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
SNCMYAPQVGYWMK-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