General Information of the Compound
| Compound ID |
CP0552625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-butyl-4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H31N3O2
|
||||||||||||||||||
| Molecular Weight |
441.575
|
||||||||||||||||||
| Canonical SMILES |
CCCCNC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(OC)cc1)c1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N3O2/c1-4-5-18-29-28(32)22-10-14-23(15-11-22)31-27(21-12-16-24(33-3)17-13-21)19-26(30-31)25-9-7-6-8-20(25)2/h6-17,27H,4-5,18-19H2,1-3H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GOAYQAMTBWZGSC-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 | |||||||||||||||||||
| 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