General Information of the Compound
| Compound ID |
CP0954233
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1S)-1-cyclopropylethyl]-5-[3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-7-(propan-2-yl)-2,3-dihydro-1H-isoindol-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C27H29N5O
|
||||||||||||||||||
| Molecular Weight |
439.563
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N5O/c1-15(2)22-8-18(7-20-14-32(27(33)25(20)22)16(3)17-5-6-17)19-9-23-24(12-29-26(23)28-10-19)21-11-30-31(4)13-21/h7-13,15-17H,5-6,14H2,1-4H3,(H,28,29)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YOQYVRQLBSQSEB-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