Formula | C27H23Cl2N3O5 |
MW | 540.4 |
InChIKey | ZWZNLKNWMSKYQV-QMTRIVCPSA-N |
hba | 5 |
hbd | 2 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.464356 |
logp | 4.8444 |
mw | 540.403 |
molecular_weight | 540.403 |
qed_score | 0.464356 |
tpsa | 99.18 |
s_m_entry_id | 769 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=C(N[C@H]1C(=O)N2C[C@H](C(=O)O)[C@@H](c3c(Cl)cccc3Cl)N2[C@@H]1c1ccccc1)OCc1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325922 |
koda_racka_fkkt | 12 |
koda_viale | NUMB138712 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 193 |
pozicija_v_racku_in_rack | 12C4 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |