Formula | C28H36N2O4 |
MW | 464.6 |
InChIKey | KLRLZPRZWHVHLZ-CJWZPLIUSA-N |
hba | 6 |
hbd | 2 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.434389 |
logp | 5.7816 |
mw | 464.606 |
molecular_weight | 464.606 |
qed_score | 0.434389 |
tpsa | 76.66 |
s_m_entry_id | 288 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC1(C)[C@@H]2CC[C@@]1(C)OC(=O)/C2=C\Nc1ccc(N/C=C2\C(=O)O[C@]3(C)CC[C@H]2C3(C)C)cc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045558 |
koda_racka_fkkt | 5 |
koda_viale | NA0019513019 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 164 |
pozicija_v_racku_in_rack | 5C8 |
raziskovalec | Uroš Grošelj |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |