Formula | C32H36BrN3O8 |
MW | 670.56 |
InChIKey | JYOMTGSKEADPAW-AJQTZOPKSA-N |
hba | 8 |
hbd | 1 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 5 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.0672495 |
logp | 5.0037 |
mw | 670.557 |
molecular_weight | 670.557 |
qed_score | 0.267249 |
tpsa | 131.55 |
s_m_entry_id | 399 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ok24300 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)C1=CN(C(=O)OC(C)(C)C)[C@](Cc2ccccc2)([C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)c3ccc(Br)cc32)C1=O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325925 |
koda_racka_fkkt | 4 |
koda_viale | NUME543809 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 35 |
pozicija_v_racku_in_rack | 4H3 |
raziskovalec | Luka Ciber |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |