Formula | C24H25Cl2N3O5 |
MW | 506.38 |
InChIKey | RSIIUAVJCYANOQ-NOOVBMIQSA-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 | 0.611708 |
logp | 4.1277 |
mw | 506.386 |
molecular_weight | 506.386 |
qed_score | 0.611708 |
tpsa | 99.18 |
s_m_entry_id | 865 |
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)O)[C@@H](c3c(Cl)cccc3Cl)N12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00321365 |
koda_racka_fkkt | 14 |
koda_viale | NUMB137528 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 282 |
pozicija_v_racku_in_rack | 12F8 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 0,5 mL |