Formula | C23H22N4O6S |
MW | 482.51 |
InChIKey | DTCJTVQXPYOTBD-PNWJVZCWSA-N |
hba | 8 |
hbd | 4 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 8 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.111018 |
logp | 1.95147 |
mw | 482.518 |
molecular_weight | 482.518 |
qed_score | 0.111018 |
tpsa | 138.84 |
s_m_entry_id | 432 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | [H]/N=C(/O/C(=C/NC(=S)N/C=C(/NC(=O)c1ccccc1)C(=O)OC)C(=O)OC)c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045566 |
koda_racka_fkkt | 6 |
koda_viale | NA0019513690 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 401 |
pozicija_v_racku_in_rack | 6H11 |
raziskovalec | ? |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |