General Information of the Compound
| Compound ID |
CP0432758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl N-[3-[5-carbamoyl-7-(3-methoxypropoxy)-2-(pyridazine-3-carbonylamino)benzimidazol-1-yl]propyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N7O6
|
||||||||||||||||||
| Molecular Weight |
561.599
|
||||||||||||||||||
| Canonical SMILES |
COCCCOc1cc(cc2nc(NC(=O)c3cccnn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N7O6/c1-39-14-7-15-40-23-17-20(25(29)36)16-22-24(23)35(27(32-22)33-26(37)21-10-5-12-31-34-21)13-6-11-30-28(38)41-18-19-8-3-2-4-9-19/h2-5,8-10,12,16-17H,6-7,11,13-15,18H2,1H3,(H2,29,36)(H,30,38)(H,32,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQYLRTNXTWRPTP-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