Formula | C47H56N4O8 |
MW | 804.98 |
InChIKey | GNUJZUAOIDGIPZ-KHTANYOASA-N |
hba | 9 |
hbd | 1 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 11 |
veber_rule | 0 |
b_m_subgroup_collapsed | 0 |
drug_score | 0 |
logp | 8.5107 |
mw | 804.985 |
molecular_weight | 804.985 |
qed_score | 0.114433 |
tpsa | 148.39 |
s_m_entry_id | 930 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N2[C@H]1c1ccc([N+](=O)[O-])cc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045565 |
koda_racka_fkkt | 13 |
koda_viale | NA0019512809 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 1105 |
pozicija_v_racku_in_rack | 13C5 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |