General Information of the Compound
| Compound ID |
CP0401714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N7O2
|
||||||||||||||||||
| Molecular Weight |
495.587
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2cc[nH]c12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N7O2/c1-17-13-20(15-29)14-18(2)25(17)37-27-24-23(7-10-31-24)33-28(34-27)32-22-8-11-35(12-9-22)16-19-3-5-21(6-4-19)26(30)36/h3-7,10,13-14,22,31H,8-9,11-12,16H2,1-2H3,(H2,30,36)(H,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRDMIUOVEAYJDY-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