General Information of the Compound
| Compound ID |
CP0572053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3R)-3-[4-amino-3-[1-(5-bromo-2-hydroxyphenyl)triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20BrN9O2
|
||||||||||||||||||
| Molecular Weight |
510.356
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n(nc(-c3cn(nn3)-c3cc(Br)ccc3O)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20BrN9O2/c1-2-17(33)29-7-3-4-13(9-29)31-21-18(20(23)24-11-25-21)19(27-31)14-10-30(28-26-14)15-8-12(22)5-6-16(15)32/h2,5-6,8,10-11,13,32H,1,3-4,7,9H2,(H2,23,24,25)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBHLHPSNEOTFKI-CYBMUJFWSA-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 | |||||||||||||||||||
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