General Information of the Compound
| Compound ID |
CP0508293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H31N7O3
|
||||||||||||||||||
| Molecular Weight |
573.657
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3nc(C)c(=O)[nH]c23)c2ccccc12)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H31N7O3/c1-19-10-12-21(13-11-19)40-28(18-27(39-40)33(3,4)5)37-32(42)36-24-14-15-25(23-9-7-6-8-22(23)24)43-26-16-17-34-30-29(26)38-31(41)20(2)35-30/h6-18H,1-5H3,(H,38,41)(H2,36,37,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMZDOSYNFYOWNE-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