Formula | C44H46Cl2N6O8 |
MW | 857.79 |
InChIKey | JXSGQJGCUPPVNS-OLUBFQDVSA-N |
hba | 9 |
hbd | 4 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 14 |
veber_rule | 0 |
b_m_subgroup_collapsed | 0 |
drug_score | 0 |
logp | 5.0614 |
mw | 857.792 |
molecular_weight | 857.792 |
qed_score | 0.126468 |
tpsa | 175.48 |
s_m_entry_id | 762 |
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)OC(=O)[C@H]1CN2C(=O)[C@H](NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)OCc3ccccc3)[C@@H](c3ccccc3)N2[C@@H]1c1c(Cl)cccc1Cl |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325922 |
koda_racka_fkkt | 12 |
koda_viale | NUMB139322 |
literaturno_znana_neznana_ali_komercialna_spojina | literatueni neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 6 |
pozicija_v_racku_in_rack | 12B9 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |