General Information of the Compound
| Compound ID |
CP0952939
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-{2-[(1S)-1-Cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C27H30N4O3
|
||||||||||||||||||
| Molecular Weight |
458.562
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(C(=O)NC4CCOCC4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N4O3/c1-15-9-18(10-20-14-31(27(33)24(15)20)16(2)17-3-4-17)19-11-22-23(13-29-25(22)28-12-19)26(32)30-21-5-7-34-8-6-21/h9-13,16-17,21H,3-8,14H2,1-2H3,(H,28,29)(H,30,32)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGHDTBHFWDCDDF-INIZCTEOSA-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 | |||||||||||||||||||
| 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