General Information of the Compound
| Compound ID |
CP0961706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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)-2,6-dimethylbenzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C30H29N3O3
|
||||||||||||||||||
| Molecular Weight |
479.58
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)cc23)cc(C)c1C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29N3O3/c1-15-8-21(9-16(2)26(15)30(35)36)25-13-32-28-24(25)11-22(12-31-28)20-7-17(3)27-23(10-20)14-33(29(27)34)18(4)19-5-6-19/h7-13,18-19H,5-6,14H2,1-4H3,(H,31,32)(H,35,36)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGYWHESNJLSJPT-SFHVURJKSA-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