Formula | C25H26N4O2 |
MW | 414.51 |
InChIKey | KLQIVQWTIKSQMR-NRFANRHFSA-N |
hba | 5 |
hbd | 1 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 5 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.487024 |
logp | 5.2048 |
mw | 414.509 |
molecular_weight | 414.509 |
qed_score | 0.487024 |
tpsa | 68.52 |
s_m_entry_id | 62 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ok27288 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1ccnc2cc(-c3ccccc3)nn12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00246861 |
koda_racka_fkkt | 1 |
koda_viale | NUJD034015 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 96 |
pozicija_v_racku_in_rack | 1F2 |
raziskovalec | Nejc Petek |
raziskovalna_skupina | Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |