Compound VTR
Identifiers
- Canonical SMILES:
Oc1c(O)c(Br)c(c(Br)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4
- InChi:
InChI=1S/C22H20Br2N2O6/c23-16-15(17(24)20(29)21(30)19(16)28)18(27)14-10-12-9-11(3-4-13(12)32-14)22(31)25-5-8-26-6-1-2-7-26/h3-4,9-10,28-30H,1-2,5-8H2,(H,25,31)
- InChiKey:
IZFDDCJWJDARBQ-UHFFFAOYSA-N
Chemistry rules
Lipinski's RO5 | Veber | Pfizer's 3/75 |
---|---|---|
External links
RNA-SM complexes
Physicochemical filters
Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
---|---|---|---|---|
Compliance | ||||
MW | 565.97 g/mol | |||
HBA | 7 | |||
HBD | 4 | |||
HBA + HBD | ||||
AlogP | 4.13 | |||
TPSA | 123.24 | |||
RB | 6 |