General Information of the Compound
| Compound ID |
CP0546884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-chloro-1-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,4-dihydroquinazolin-3-yl]-cyclohexylmethanone
Show/Hide
|
||||||||||||||||||
| Formula |
C27H33ClN4O2
|
||||||||||||||||||
| Molecular Weight |
481.04
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)C(=O)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33ClN4O2/c1-20-7-5-6-10-24(20)29-13-15-30(16-14-29)27(34)32-19-31(26(33)21-8-3-2-4-9-21)18-22-17-23(28)11-12-25(22)32/h5-7,10-12,17,21H,2-4,8-9,13-16,18-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGLCMEFLKIZDNE-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