General Information of the Compound
| Compound ID |
CP0428379
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(5-methylpyridin-2-yl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N6O2
|
||||||||||||||||||
| Molecular Weight |
522.653
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(nc1)C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N6O2/c1-20-7-8-27(32-17-20)24(14-22-13-21(2)30-25(15-22)18-33-35-30)16-29(38)36-11-9-26(10-12-36)37-19-23-5-3-4-6-28(23)34-31(37)39/h3-8,13,15,17-18,24,26H,9-12,14,16,19H2,1-2H3,(H,33,35)(H,34,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFYVDPGLTOOFNJ-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