Compound KXC
Identifiers
- Canonical SMILES:
CN(C)CCNCc1ccc2nccnc2c1
- IUPAC name:
N~1~,N~1~-dimethyl-N~2~-[(quinoxalin-6-yl)methyl]ethane-1,2-diamine
- InChi:
InChI=1S/C13H18N4/c1-17(2)8-7-14-10-11-3-4-12-13(9-11)16-6-5-15-12/h3-6,9,14H,7-8,10H2,1-2H3
- InChiKey:
OZUJBFNDMZPDCX-UHFFFAOYSA-N
- SMARTS:
[#6]-[#7](-[#6])-[#6]-[#6]-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#7]:[#6]:[#6]:[#7]:[#6]:2:[#6]:1
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
113406135
KXC
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 230.15 g/mol | |||
| HBA | 4 | |||
| HBD | 1 | |||
| HBA + HBD | ||||
| AlogP | 1.28 | |||
| TPSA | 41.05 | |||
| RB | 5 |