General Information of the Compound
| Compound ID |
CP0432048
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-N-[3-bromo-1-(cyclohexylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21BrN6OS
|
||||||||||||||||||
| Molecular Weight |
485.411
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(CC3CCCCC3)nc(Br)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21BrN6OS/c22-19-16-14(26-21(29)13-10-30-18-17(13)24-11-25-20(18)23)7-4-8-15(16)28(27-19)9-12-5-2-1-3-6-12/h4,7-8,10-12H,1-3,5-6,9H2,(H,26,29)(H2,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVWAKTUCDXJJME-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