General Information of the Compound
| Compound ID |
CP0883812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-(3-((6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)amino)-1H-pyrazol-1-yl)methyl-2-amino-3-methylbutanoate
Show/Hide
|
||||||||||||||||||
| Formula |
C34H33N7O4
|
||||||||||||||||||
| Molecular Weight |
603.683
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-c2c(Nc3ccn(COC(=O)[C@@H](N)C(C)C)n3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H33N7O4/c1-21(2)29(35)34(43)45-20-40-19-18-26(38-40)36-31-28(23-14-16-25(44-3)17-15-23)33(42)41-32(37-31)27(22-10-6-4-7-11-22)30(39-41)24-12-8-5-9-13-24/h4-19,21,29,37H,20,35H2,1-3H3,(H,36,38)/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZSLWSPWNLLWKI-LJAQVGFWSA-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