General Information of the Compound
| Compound ID |
CP0517282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32N6O2
|
||||||||||||||||||
| Molecular Weight |
508.626
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32N6O2/c1-20-14-21(16-24-18-32-34-29(20)24)15-23(26-7-4-5-11-31-26)17-28(37)35-12-9-25(10-13-35)36-19-22-6-2-3-8-27(22)33-30(36)38/h2-8,11,14,16,18,23,25H,9-10,12-13,15,17,19H2,1H3,(H,32,34)(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YVUXFFRITGSONM-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