General Information of the Compound
| Compound ID |
CP0404620
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{7-[3-(3,3-Difluoro-piperidin-1-yl)-propoxy]-6-methoxy-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40F2N6O4
|
||||||||||||||||||
| Molecular Weight |
598.695
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCC(F)(F)C1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40F2N6O4/c1-22(2)43-24-8-6-23(7-9-24)36-30(40)39-15-13-38(14-16-39)29-25-18-27(41-3)28(19-26(25)34-21-35-29)42-17-5-12-37-11-4-10-31(32,33)20-37/h6-9,18-19,21-22H,4-5,10-17,20H2,1-3H3,(H,36,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFWXSBLDRFMUHB-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