General Information of the Compound
| Compound ID |
CP0138969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-cyclopentyl-4-quinazolin-4-ylbenzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C20H18N2O2
|
||||||||||||||||||
| Molecular Weight |
318.376
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1C1CCCC1)-c1ncnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N2O2/c23-20(24)15-10-9-14(11-17(15)13-5-1-2-6-13)19-16-7-3-4-8-18(16)21-12-22-19/h3-4,7-13H,1-2,5-6H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RAWJLYJQCYKFKV-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