Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0QI7H
|
|||
| Former ID |
DNC002916
|
|||
| Drug Name |
2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE
|
|||
| Synonyms |
2-Anilino-6-cyclohexylmethoxypurine; 2-anilino-6-cyclohexylmethoxypurine; 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine; CHEMBL122264; 444722-80-9; 2A6; NU-6094; 1h1q; AC1L1BOU; SCHEMBL6791643; BDBM5530; CTK1D2421; DTXSID30274313; XWWRLKIBRPJQJX-UHFFFAOYSA-N; O6-Cyclohexylmethylguanine deriv 2; AKOS030619892; DB06948; N-Phenyl-6-(cyclohexylmethoxy)-9H-purine-2-amine; 6-(cyclohexylmethoxy)-N-phenyl-9H-purin-2-amine; 1H-Purin-2-amine,
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C18H21N5O
|
|||
| Canonical SMILES |
C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=CC=C4
|
|||
| InChI |
1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23)
|
|||
| InChIKey |
XWWRLKIBRPJQJX-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 444722-80-9
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
| REF 2 | Halogen bonding--a novel interaction for rational drug design J Med Chem. 2009 May 14;52(9):2854-62. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.