Formula | C19H16N4O |
MW | 316.36 |
InChIKey | ZBWVULNBLRFIQJ-UHFFFAOYSA-N |
hba | 4 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.80695 |
logp | 3.079 |
mw | 316.364 |
molecular_weight | 316.364 |
qed_score | 0.80695 |
tpsa | 70.71 |
s_m_entry_id | 223 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CNC(=O)c1c(C#N)c(-c2ccc(C)cc2)nn1-c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325924 |
koda_racka_fkkt | 3 |
koda_viale | NUMB141080 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 2 |
pozicija_v_racku_in_rack | 3H10 |
raziskovalec | Uroš Grošelj |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |