General Information of the Compound
| Compound ID |
CP0037889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
pyrazolo pyrimidine, 27
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H42N10O4
|
||||||||||||||||||
| Molecular Weight |
654.776
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H42N10O4/c1-40-15-17-41(18-16-40)27-9-7-26(8-10-27)37-33(45)36-25-5-3-24(4-6-25)30-38-31(42-19-21-48-22-20-42)29-23-35-44(32(29)39-30)28-11-13-43(14-12-28)34(46)47-2/h3-10,23,28H,11-22H2,1-2H3,(H2,36,37,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UDRFVTDJBQKEAH-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