General Information of the Compound
| Compound ID |
CP0499986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-chloro-1-methyl-4-(1-(quinolin-6-ylmethyl)piperidin-4-ylamino)quinazolin-2(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24ClN5O
|
||||||||||||||||||
| Molecular Weight |
433.943
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ncccc4c3)CC2)nc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24ClN5O/c1-29-22-7-5-18(25)14-20(22)23(28-24(29)31)27-19-8-11-30(12-9-19)15-16-4-6-21-17(13-16)3-2-10-26-21/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSWQTWONAQNZGC-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2