Formula | C28H33Cl2N3O5 |
MW | 562.49 |
InChIKey | SRFKFPXWIIXQJH-QMTRIVCPSA-N |
hba | 6 |
hbd | 1 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.275793 |
logp | 5.3848 |
mw | 562.494 |
molecular_weight | 562.494 |
qed_score | 0.475793 |
tpsa | 88.18 |
s_m_entry_id | 844 |
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]1[C@@H](NC(=O)OCc2ccccc2)C(=O)N2C[C@H](C(=O)OC(C)(C)C)[C@@H](c3c(Cl)cccc3Cl)N12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045565 |
koda_racka_fkkt | 13 |
koda_viale | NA0019513621 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 788 |
pozicija_v_racku_in_rack | 13B8 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Poltrdna spojina |
velikost_viale | 2 mL |