General Information of the Compound
| Compound ID |
CP0915505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl)-4-(1-(pyrrolidin-1-yl)ethyl)benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
531.528
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(NC(=O)c2ccc(C(C)N3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35ClN4O2.ClH/c1-19(2)18-35-26-12-11-25(29)16-24(26)17-33-20(3)15-27(31-33)30-28(34)23-9-7-22(8-10-23)21(4)32-13-5-6-14-32;/h7-12,15-16,19,21H,5-6,13-14,17-18H2,1-4H3,(H,30,31,34);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQRVCIGHKZWVFE-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