General Information of the Compound
| Compound ID |
CP0969872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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)-2-methylbenzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C29H27N3O3
|
||||||||||||||||||
| Molecular Weight |
465.553
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)cc23)ccc1C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27N3O3/c1-15-8-19(6-7-23(15)29(34)35)25-13-31-27-24(25)11-21(12-30-27)20-9-16(2)26-22(10-20)14-32(28(26)33)17(3)18-4-5-18/h6-13,17-18H,4-5,14H2,1-3H3,(H,30,31)(H,34,35)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDLAPKOLJPJKBA-KRWDZBQOSA-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