Formula | C32H40Cl2N4O6 |
MW | 647.6 |
InChIKey | QLUJNCVXGWBTRL-DELFIHRLSA-N |
hba | 8 |
hbd | 2 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 8 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.17376 |
logp | 5.247 |
mw | 647.6 |
molecular_weight | 647.6 |
qed_score | 0.37376 |
tpsa | 117.28 |
s_m_entry_id | 786 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | C[C@@H](NC(=O)OC(C)(C)C)C(=O)CN[C@H]1C(=O)N2C[C@H](C(=O)OC(C)(C)C)[C@@H](c3c(Cl)cccc3Cl)N2[C@@H]1c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325922 |
koda_racka_fkkt | 12 |
koda_viale | NUMB138615 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 28 |
pozicija_v_racku_in_rack | 12D6 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Poltrdna spojina |
velikost_viale | 1 mL |