General Information of the Compound
| Compound ID |
CP0463309
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-tert-butyl-N-[3-[6-[4-[2-(dimethylamino)ethylcarbamoyl]anilino]-9-methylpurin-2-yl]-2-methylphenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H40N8O2
|
||||||||||||||||||
| Molecular Weight |
604.759
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCNC(=O)c1ccc(Nc2nc(nc3n(C)cnc23)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H40N8O2/c1-22-27(9-8-10-28(22)39-34(45)24-11-15-25(16-12-24)35(2,3)4)30-40-31(29-32(41-30)43(7)21-37-29)38-26-17-13-23(14-18-26)33(44)36-19-20-42(5)6/h8-18,21H,19-20H2,1-7H3,(H,36,44)(H,39,45)(H,38,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QWRCMCNZGCYTPB-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