General Information of the Compound
| Compound ID |
CP0470736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H34N4O2S
|
||||||||||||||||||
| Molecular Weight |
574.75
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)NC(c2ccccc2)c2ccccc2)n(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H34N4O2S/c1-24-19-26(3)30(20-25(24)2)31-21-32(39(38-31)29-17-11-6-12-18-29)36-33(40)22-42-23-34(41)37-35(27-13-7-4-8-14-27)28-15-9-5-10-16-28/h4-21,35H,22-23H2,1-3H3,(H,36,40)(H,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFLDOZBTPRZTHF-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