General Information of the Compound
| Compound ID |
CP0447779
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-[3-[5-(hydroxymethyl)pyridin-2-yl]-4-(7-methyl-1H-indazol-5-yl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N6O3
|
||||||||||||||||||
| Molecular Weight |
538.652
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc(CO)cn2)cc2cn[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N6O3/c1-20-12-22(14-25-17-33-35-30(20)25)13-24(27-7-6-21(19-38)16-32-27)15-29(39)36-10-8-26(9-11-36)37-18-23-4-2-3-5-28(23)34-31(37)40/h2-7,12,14,16-17,24,26,38H,8-11,13,15,18-19H2,1H3,(H,33,35)(H,34,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOPBHMDKKLEDAD-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