FKKTLib v2021: details for selected entry

AGo12-a-2 (3903)

FormulaC24H24F6N4O
MW498.48
InChIKeyXULUVWIKMSCVKJ-TZIWHRDSSA-N
hba4
hbd2
lipinski_violations1
pains_match0
reactivity0
rotatable_bonds5
veber_rule1
b_m_subgroup_collapsed0
drug_score0.486784
logp6.13288
mw498.471
molecular_weight498.471
qed_score0.486784
tpsa68.16
s_m_entry_id3903
s_m_subgroup_titletest
s_m_subgroupidtest
nmr_kodani NMR podatkov
nova_ali_stara_spojinaFKKT-FFA knjiznica
smilesCN(C)[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
dodaten_komentar0
fizicna_ali_virtualna_spojinafizicen vzorec
koda_racka_1_nuncnu00380159
koda_racka_fkkt52
koda_vialenumb136200
literaturno_znana_neznana_ali_komercialna_spojinaN
lokacijaFKKT hladilnik 1
masa_mg20
pozicija_v_racku_in_rack52B7
raziskovalecAna Golob
raziskovalna_skupinaprof. dr. Jurij Svete
trden_tekoc_vzorec_ali_raztopinaTekoča spojina
velikost_viale1 mL