General Information of the Compound
| Compound ID |
CP0576359
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-benzylpiperazin-1-yl)-N-[2-[2-oxo-2-[[2-[2-oxo-2-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]amino]ethyl]pyrazolo[3,4-b]pyridin-3-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H34N14O3
|
||||||||||||||||||
| Molecular Weight |
698.752
|
||||||||||||||||||
| Canonical SMILES |
O=C(CN1CCN(Cc2ccccc2)CC1)Nc1n(CC(=O)Nc2n(CC(=O)Nc3[nH]nc4ncccc34)nc3ncccc23)nc2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H34N14O3/c50-27(20-47-17-15-46(16-18-47)19-23-7-2-1-3-8-23)40-34-25-10-5-13-37-31(25)45-49(34)22-29(52)41-35-26-11-6-14-38-32(26)44-48(35)21-28(51)39-33-24-9-4-12-36-30(24)42-43-33/h1-14H,15-22H2,(H,40,50)(H,41,52)(H2,36,39,42,43,51)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WENMCQOIGJKWQC-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 | |||||||||||||||||||
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