General Information of the Compound
| Compound ID |
CP0414705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[2-[4-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]isoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H33FN4O3
|
||||||||||||||||||
| Molecular Weight |
612.705
|
||||||||||||||||||
| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H33FN4O3/c39-32-20-27(23-7-8-23)19-26-14-18-43(38(46)35(26)32)34-6-4-5-28(31(34)22-44)29-13-15-40-36-30(29)21-33(41-36)24-9-11-25(12-10-24)37(45)42-16-2-1-3-17-42/h4-6,9-15,18-21,23,44H,1-3,7-8,16-17,22H2,(H,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TTXLNYPTDMLZFL-UHFFFAOYSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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