General Information of the Compound
| Compound ID |
CP0895580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl)-4-(pyrrolidin-2-yl)benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
503.474
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(NC(=O)c2ccc(C3CCCN3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31ClN4O2.ClH/c1-17(2)16-33-24-11-10-22(27)14-21(24)15-31-18(3)13-25(30-31)29-26(32)20-8-6-19(7-9-20)23-5-4-12-28-23;/h6-11,13-14,17,23,28H,4-5,12,15-16H2,1-3H3,(H,29,30,32);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGJMHONNYGXUAA-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