Formula | C31H30Cl2N4O6 |
MW | 625.51 |
InChIKey | XWQKFKSNVAJERY-TXMMAOPQSA-N |
hba | 7 |
hbd | 2 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 8 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.352305 |
logp | 4.58 |
mw | 625.509 |
molecular_weight | 625.509 |
qed_score | 0.352305 |
tpsa | 117.28 |
s_m_entry_id | 753 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)[C@@H](C)NC(=O)[C@H]1C[C@H](c2c(Cl)cccc2Cl)N2[C@@H](c3ccccc3)[C@H](NC(=O)OCc3ccccc3)C(=O)N12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325922 |
koda_racka_fkkt | 12 |
koda_viale | NUMB138837 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 145 |
pozicija_v_racku_in_rack | 12B2 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |