General Information of the Compound
| Compound ID |
CP0461373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-[bis(methylsulfonyl)amino]phenyl]methyl]-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]acetamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H48ClN7O5S2
|
||||||||||||||||||
| Molecular Weight |
794.444
|
||||||||||||||||||
| Canonical SMILES |
Cl.CN(C)CCN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccc(cc2)N(S(C)(=O)=O)S(C)(=O)=O)N1c1ccc(cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H47N7O5S2.ClH/c1-42(2)22-23-43-24-26-44(27-25-43)39-41-36-13-9-8-12-35(36)37(45(39)33-20-16-32(17-21-33)31-10-6-5-7-11-31)28-38(47)40-29-30-14-18-34(19-15-30)46(52(3,48)49)53(4,50)51;/h5-21,37H,22-29H2,1-4H3,(H,40,47);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWCJGLGJGZNVSG-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