General Information of the Compound
| Compound ID |
CP0505427
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Cyano-4-(1-naphthyl)-N-(1-[2-chlorophenyl]-3-phenyl-1H-pyrazol-5-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H21ClN4O
|
||||||||||||||||||
| Molecular Weight |
525.011
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1-n1nc(cc1NC(=O)c1ccc(c(c1)C#N)-c1cccc2ccccc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H21ClN4O/c34-29-15-6-7-16-31(29)38-32(20-30(37-38)23-10-2-1-3-11-23)36-33(39)24-17-18-27(25(19-24)21-35)28-14-8-12-22-9-4-5-13-26(22)28/h1-20H,(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXMHSRQAHOLIQB-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