Formula | C21H23BN4O2 |
MW | 374.25 |
InChIKey | FETHTJSWTATPRE-SOIKWTOOSA-N |
hba | 5 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 2 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.504194 |
logp | 1.6476 |
mw | 376.269 |
molecular_weight | 376.269 |
qed_score | 0.504194 |
tpsa | 60.37 |
s_m_entry_id | 264 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | [BH3-][n+]1nc([C@@H]2C(=O)O[C@]3(C)CC[C@H]2C3(C)C)n2nc(-c3ccccc3)ccc21 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325925 |
koda_racka_fkkt | 4 |
koda_viale | NUMB142061 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 26 |
pozicija_v_racku_in_rack | 4C2 |
raziskovalec | Uroš Grošelj |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |