General Information of the Compound
| Compound ID |
CP0551813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3R)-3-N-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]cyclopentane-1,3-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19N7O
|
||||||||||||||||||
| Molecular Weight |
325.376
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CC[C@H](N)C3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19N7O/c1-24-13-6-4-12(5-7-13)23-15-14(21-22-23)9-18-16(20-15)19-11-3-2-10(17)8-11/h4-7,9-11H,2-3,8,17H2,1H3,(H,18,19,20)/t10-,11+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSHLPUOBFBCDRP-WDEREUQCSA-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
Protein ID: PT02162, Mitogen-activated protein kinase 6