General Information of the Compound
| Compound ID |
CP0954232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-{2-[(1S)-1-Cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H26N4O2
|
||||||||||||||||||
| Molecular Weight |
450.542
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26N4O2/c1-15-9-20(10-22-14-32(28(34)25(15)22)16(2)17-3-4-17)21-11-23-24(13-31-27(23)30-12-21)18-5-7-19(8-6-18)26(29)33/h5-13,16-17H,3-4,14H2,1-2H3,(H2,29,33)(H,30,31)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCAIGYSNGUQZOI-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