General Information of the Compound
| Compound ID |
CP0959447
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[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)phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C29H27N3O3
|
||||||||||||||||||
| Molecular Weight |
465.553
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccc(CC(=O)O)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27N3O3/c1-16-9-21(11-23-15-32(29(35)27(16)23)17(2)19-7-8-19)22-12-24-25(14-31-28(24)30-13-22)20-5-3-18(4-6-20)10-26(33)34/h3-6,9,11-14,17,19H,7-8,10,15H2,1-2H3,(H,30,31)(H,33,34)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJBMMXPHHVPMMY-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