General Information of the Compound
| Compound ID |
CP0004541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MERIOLIN 1
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-Pyrimidinamine, 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-
3-(2-Amino-4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine
341998-55-8
4-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)PYRIMIDIN-2-AMINE
4-(7-aza-indol-3-yl)-2-amino pyrimidine
AKOS027252841
BDBM50371404
CHEMBL405665
CTK1B7876
DTXSID60469811
HQHSJJZIICGOIX-UHFFFAOYSA-
MERIOLIN 1
SCHEMBL2241315
ZINC29135178
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H9N5
|
||||||||||||||||||
| Molecular Weight |
211.228
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccc(n1)-c1c[nH]c2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H9N5/c12-11-14-5-3-9(16-11)8-6-15-10-7(8)2-1-4-13-10/h1-6H,(H,13,15)(H2,12,14,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQHSJJZIICGOIX-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
Clinical Information about the Compound