Formula | C23H24N6O3 |
MW | 432.48 |
InChIKey | BQTJQPGBCZSKIU-OAQYLSRUSA-N |
hba | 9 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.621389 |
logp | 2.90042 |
mw | 432.484 |
molecular_weight | 432.484 |
qed_score | 0.621389 |
tpsa | 92.93 |
s_m_entry_id | 3317 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COc1ccc([C@@H]2C(C(C)=O)=C(C(C)=O)N3c4c(C)nn5cnnc5c4C(C)(C)N23)cc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329462 |
koda_racka_fkkt | 46 |
koda_viale | NUME536979 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 21 |
pozicija_v_racku_in_rack | 46B2 |
raziskovalec | Branko Stanovnik |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |