Formula | C28H31Cl2N5O7 |
MW | 620.49 |
InChIKey | JVTFFXMNOZUHJI-WFVHXPRMSA-N |
hba | 7 |
hbd | 4 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 10 |
veber_rule | 0 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.215511 |
logp | 2.3601 |
mw | 620.49 |
molecular_weight | 620.49 |
qed_score | 0.315511 |
tpsa | 157.38 |
s_m_entry_id | 851 |
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)CNC(=O)CNC(=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 | NU00325922 |
koda_racka_fkkt | 12 |
koda_viale | NUMB137412 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 82 |
pozicija_v_racku_in_rack | 12F4 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |