General Information of the Compound
| Compound ID |
CP0538175
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-4-bromo-5-(2-chlorobenzamido)-N-(2-oxoazepan-3-yl)-1-phenyl-1H-pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21BrClN5O3
|
||||||||||||||||||
| Molecular Weight |
530.81
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1C(=O)Nc1c(Br)c(nn1-c1ccccc1)C(=O)N[C@@H]1CCCCNC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21BrClN5O3/c24-18-19(23(33)27-17-12-6-7-13-26-22(17)32)29-30(14-8-2-1-3-9-14)20(18)28-21(31)15-10-4-5-11-16(15)25/h1-5,8-11,17H,6-7,12-13H2,(H,26,32)(H,27,33)(H,28,31)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFXFJWKRUMIQTP-QGZVFWFLSA-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