General Information of the Compound
| Compound ID |
CP0117924
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N4O2
|
||||||||||||||||||
| Molecular Weight |
468.601
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N4O2/c1-18(2)24-15-21(6-7-23(24)28(30)34)22-8-9-31-29-26(22)16-27(32-29)25-14-20(5-4-19(25)3)17-33-10-12-35-13-11-33/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,34)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUTLUBADCGINEP-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