General Information of the Compound
| Compound ID |
CP0969000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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-(propan-2-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C31H31N3O3
|
||||||||||||||||||
| Molecular Weight |
493.607
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(C(C)C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31N3O3/c1-16(2)25-11-20(7-8-24(25)31(36)37)27-14-33-29-26(27)12-22(13-32-29)21-9-17(3)28-23(10-21)15-34(30(28)35)18(4)19-5-6-19/h7-14,16,18-19H,5-6,15H2,1-4H3,(H,32,33)(H,36,37)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFBRJVUJJZPTCH-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