Formula | C29H29N3O5 |
MW | 499.57 |
InChIKey | ATQMYEXVNPLGDY-FWEHEUNISA-N |
hba | 6 |
hbd | 2 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 9 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.436731 |
logp | 3.5252 |
mw | 499.567 |
molecular_weight | 499.567 |
qed_score | 0.436731 |
tpsa | 104.81 |
s_m_entry_id | 931 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CCC(=O)O[C@@H](C(C)=O)[C@H](c1ccccc1)N1NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045565 |
koda_racka_fkkt | 13 |
koda_viale | NA0019512792 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 468 |
pozicija_v_racku_in_rack | 13C9 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |