General Information of the Compound
| Compound ID |
CP0570581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6-chloro-3-methylsulfonyl-2,4-dihydroquinazolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C21H25ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
448.976
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25ClN4O3S/c1-16-5-3-4-6-19(16)23-9-11-24(12-10-23)21(27)26-15-25(30(2,28)29)14-17-13-18(22)7-8-20(17)26/h3-8,13H,9-12,14-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQXCQBASDSCXSX-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 | |||||||||||||||||||
| 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