General Information of the Compound
| Compound ID |
CP0472508
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2'-Hydroxymethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahydro-4H-cycloheptaimidazol-1-ylmethyl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N4O5S
|
||||||||||||||||||
| Molecular Weight |
562.692
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N4O5S/c1-4-9-28-31-25-11-6-7-12-26(36)29(25)34(28)17-21-14-15-23(22(16-21)18-35)24-10-5-8-13-27(24)40(37,38)33-30-19(2)20(3)32-39-30/h5,8,10,13-16,33,35H,4,6-7,9,11-12,17-18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBRKIZWDQQOPCK-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