Compound GIR
Identifiers
- Canonical SMILES:
NC[C@H](Cl)[C@@H](O)c1[nH]c(N)nc1
- IUPAC name:
(1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol
- InChi:
InChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m0/s1
- InChiKey:
YILCGOCHVFQMTC-WVZVXSGGSA-N
- SMARTS:
[#7]-[#6]-[#6@H](-[#17])-[#6@@H](-[#8])-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6]:1
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
65911
CHEMBL1171272
GIR
DB21151
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 190.06 g/mol | |||
| HBA | 4 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | -0.41 | |||
| TPSA | 100.95 | |||
| RB | 3 |