General Information of the Compound
| Compound ID |
CP0304607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(5-chloropyridin-2-yl)carbamoyl]-4-methoxyphenyl]-4-(N,N-dimethylcarbamimidoyl)-2-piperidin-1-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31ClN6O3
|
||||||||||||||||||
| Molecular Weight |
535.048
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(cc2N2CCCCC2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31ClN6O3/c1-34(2)26(30)18-7-10-21(24(15-18)35-13-5-4-6-14-35)27(36)32-23-11-9-20(38-3)16-22(23)28(37)33-25-12-8-19(29)17-31-25/h7-12,15-17,30H,4-6,13-14H2,1-3H3,(H,32,36)(H,31,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJKBLXBZYXGWIS-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