General Information of the Compound
| Compound ID |
CP0401717
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-[[5-(benzenesulfonyl)-4-(4-cyano-2,6-dimethylphenoxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H33N7O4S
|
||||||||||||||||||
| Molecular Weight |
635.75
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2ccn(c12)S(=O)(=O)c1ccccc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H33N7O4S/c1-22-18-25(20-35)19-23(2)31(22)45-33-30-29(14-17-41(30)46(43,44)28-6-4-3-5-7-28)38-34(39-33)37-27-12-15-40(16-13-27)21-24-8-10-26(11-9-24)32(36)42/h3-11,14,17-19,27H,12-13,15-16,21H2,1-2H3,(H2,36,42)(H,37,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZXUXBNFEONHAY-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