Formula | C23H21N3O5S |
MW | 451.5 |
InChIKey | SQVMNQZQBBAZEF-IMRHEYAYSA-N |
hba | 7 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 2 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.42041 |
logp | 1.866 |
mw | 451.504 |
molecular_weight | 451.504 |
qed_score | 0.42041 |
tpsa | 92.09 |
s_m_entry_id | 54 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ok27649 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)C1=C(C)N(C)[C@@]2(C1=O)C(=S)N[C@@]1(C(=O)N(C)c3ccccc31)[C@@H]2c1ccco1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00246861 |
koda_racka_fkkt | 1 |
koda_viale | NUMB141187 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 1 |
pozicija_v_racku_in_rack | 1ee6 |
raziskovalec | Žan Testen |
raziskovalna_skupina | Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |