General Information of the Compound
| Compound ID |
CP0533010
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35N9O2
|
||||||||||||||||||
| Molecular Weight |
589.704
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2Cc2ccccn2)cc2cn[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35N9O2/c1-22-16-23(17-25-19-36-39-30(22)25)18-29(31-35-12-15-41(31)21-26-7-4-5-11-34-26)38-32(43)40-13-9-27(10-14-40)42-20-24-6-2-3-8-28(24)37-33(42)44/h2-8,11-12,15-17,19,27,29H,9-10,13-14,18,20-21H2,1H3,(H,36,39)(H,37,44)(H,38,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMLVXFQIOAFWBD-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