General Information of the Compound
| Compound ID |
CP0402114
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-2-[3-[4-(4-fluorophenyl)phenyl]-2-(5-pyrrolidin-1-ylpentylsulfanyl)-4H-quinazolin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H41FN4OS
|
||||||||||||||||||
| Molecular Weight |
620.838
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1ccc(cc1)N1C(CC(=O)NCc2ccccc2)c2ccccc2N=C1SCCCCCN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H41FN4OS/c39-32-19-15-30(16-20-32)31-17-21-33(22-18-31)43-36(27-37(44)40-28-29-11-3-1-4-12-29)34-13-5-6-14-35(34)41-38(43)45-26-10-2-7-23-42-24-8-9-25-42/h1,3-6,11-22,36H,2,7-10,23-28H2,(H,40,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFFIZNMTHIORQW-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
Protein ID: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I