Formula | C25H21N5O3 |
MW | 439.47 |
InChIKey | NLBHOFJFXDCTRH-TVGQLCNQSA-N |
hba | 7 |
hbd | 2 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.447409 |
logp | 3.77314 |
mw | 439.475 |
molecular_weight | 439.475 |
qed_score | 0.447409 |
tpsa | 105.57 |
s_m_entry_id | 1233 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | Cc1cc(C)nc(N/C=C2/N=C(/C(=C/c3ccccc3)NC(=O)c3ccccc3)OC2=O)n1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045557 |
koda_racka_fkkt | 17 |
koda_viale | NA0019512827 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 690 |
pozicija_v_racku_in_rack | 17H12 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |