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| Ligand Name: 6-[(3,5-difluorophenyl)amino]-9-ethyl-purine-2-carbonitrile |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1259 |
PubChem:
44143088
|
Synonym(s):
- cruzain-in-1
- 1199523-24-4
- ml092
- chembl567341
- mmv676881
- 6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile
- 6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrile
- 6-(3,5-difluorophenylamino)-9-ethyl-9h-purine-2-carbonitrile
- 6-[(3,5-difluorophenyl)amino]-9-ethyl-9h-purine-2-carbonitrile
- cruzain-in-1ml092
- cruzain-in-1;ml-092
- ml092 cruzain-in-1
- mls002471782
- chebi:92430
- hms2203p24
- hms3332l09
- bcp29960
- bdbm50303420
- ncgc00181918-01
- ncgc00181918-02
- bs-14613
- hy-10836
- ml092;ml 092;ml-092
- smr001395197
- cs-0002855
- s0722
- q27164166
show 26 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL567341 |
| Canonical SMILES: CCn1cnc(c12)c(nc(n2)C#N)Nc3cc(F)cc(F)c3 |
| Standard InChI: InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21) |
| Molecular Formula: C14H10F2N6 |
Mol. Weight: 300.0935 |
logP: 2.73968 |
| HBD: 1 | HBA: 6 |
| #Rotatable Bonds: 3 | TPSA: 79.42 |