General Information of the Compound
| Compound ID |
CP0518090
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-3-(2-{[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl}-1-methyl-1H-indol-5-yl)thieno[3,2-d]pyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
479.989
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4O[C@@H](CN5CCCC5)COc4c3)c(=O)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22ClN3O3S/c26-17-5-3-16(4-6-17)23-12-20-24(33-23)25(30)29(15-27-20)18-7-8-21-22(11-18)31-14-19(32-21)13-28-9-1-2-10-28/h3-8,11-12,15,19H,1-2,9-10,13-14H2/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXZGGZWBBGPVIA-IBGZPJMESA-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