General Information of the Compound
| Compound ID |
CP0448391
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-tert-butyl-N-[2-methyl-3-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]phenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35N7O4S
|
||||||||||||||||||
| Molecular Weight |
625.755
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35N7O4S/c1-21-26(6-5-7-27(21)39-45(42,43)25-14-10-23(11-15-25)33(2,3)4)29-37-30-28(34-20-35-30)31(38-29)36-24-12-8-22(9-13-24)32(41)40-16-18-44-19-17-40/h5-15,20,39H,16-19H2,1-4H3,(H2,34,35,36,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHFKPWXZSBNUHD-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