HET
3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL
Find entries where: HET
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL |
Identifiers | 3-[2-[2-cyclopentyl-6-[(4-dimethylphosphorylphenyl)amino]purin-9-yl]ethyl]phenol |
Formula | C26 H30 N5 O2 P |
Molecular Weight | 475.522 |
Type | NON-POLYMER |
Isomeric SMILES | CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O |
InChI | InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30) |
InChIKey | VVOYROSONSLQQK-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 64 |
Chiral Atom Count | 0 |
Bond Count | 68 |
Aromatic Bond Count | 22 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1089405 |
PubChem | 9934643 |
ChEMBL | CHEMBL1089405 |