Compound RBF
Identifiers
- Canonical SMILES:
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
- IUPAC name:
1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol
- InChi:
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
- InChiKey:
AUNGANRZJHBGPY-SCRDCRAPSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
493570
CHEMBL1534
DB00140
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 3f4g | Oct. 31, 2008 | Serganov Alexander, Huang Lili, Patel Dinshaw J.. . Coenzyme recognition and gene regulation by a flavin mononucleotide riboswitch Nature |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 376.14 g/mol | |||
| HBA | 9 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | -1.72 | |||
| TPSA | 161.56 | |||
| RB | 5 |