General Information of the Compound
| Compound ID |
CP0374282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17BrN6
|
||||||||||||||||||
| Molecular Weight |
385.269
|
||||||||||||||||||
| Canonical SMILES |
Brc1cnc(NCc2ccccc2)nc1Nc1cc(n[nH]1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17BrN6/c18-13-10-20-17(19-9-11-4-2-1-3-5-11)22-16(13)21-15-8-14(23-24-15)12-6-7-12/h1-5,8,10,12H,6-7,9H2,(H3,19,20,21,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZEZSPVHWUPXAH-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