Compound SS0
Identifiers
- Canonical SMILES:
CN(C)CCCn1c(N)nc2ccc3OC[C@@H](CN(C)C)Cc3c12
- IUPAC name:
(8R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine
- InChi:
InChI=1S/C18H29N5O/c1-21(2)8-5-9-23-17-14-10-13(11-22(3)4)12-24-16(14)7-6-15(17)20-18(23)19/h6-7,13H,5,8-12H2,1-4H3,(H2,19,20)/t13-/m1/s1
- InChiKey:
HTUXJUVSTFSWOD-CYBMUJFWSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
56844239
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 3tzr | Sept. 27, 2011 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 331.24 g/mol | |||
| HBA | 6 | |||
| HBD | 1 | |||
| HBA + HBD | ||||
| AlogP | 1.68 | |||
| TPSA | 59.55 | |||
| RB | 6 |