General Information of the Compound
| Compound ID |
CP0510394
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{7-[3-(Butane-1-sulfonyl)-propoxy]-6-methoxy-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H41N5O6S
|
||||||||||||||||||
| Molecular Weight |
599.754
|
||||||||||||||||||
| Canonical SMILES |
CCCCS(=O)(=O)CCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(OC(C)C)cc3)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41N5O6S/c1-5-6-17-42(37,38)18-7-16-40-28-20-26-25(19-27(28)39-4)29(32-21-31-26)34-12-14-35(15-13-34)30(36)33-23-8-10-24(11-9-23)41-22(2)3/h8-11,19-22H,5-7,12-18H2,1-4H3,(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNLTVKMGUPESIA-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