General Information of the Compound
| Compound ID |
CP0567936
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-[2-[4-(piperidin-1-ylmethyl)phenyl]ethynyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H31FN6O2S
|
||||||||||||||||||
| Molecular Weight |
594.716
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(cc2C(=O)N(Cc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12)C#Cc1ccc(CN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H31FN6O2S/c34-27-18-24(11-8-22-6-9-23(10-7-22)19-38-13-2-1-3-14-38)17-25-26(27)20-40(32(25)42)30(31(41)37-33-35-12-16-43-33)29-28-5-4-15-39(28)21-36-29/h6-7,9-10,12,16-18,21,30H,1-5,13-15,19-20H2,(H,35,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTJDDZPMJOPDOY-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 | |||||||||||||||||||
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