Inhibitor Report for: 8UH-7AIS-compound5b
8UH-7AIS-compound5b | Type (6) |
| Other_Name | 8UH |
| Chemical_Nomenclature | 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide |
| Formula | C31H36ClN3O3 |
| MW | 534.09 |
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| Paper | Viayna_2021_J.Med.Chem_64_812 |
| Structure | 7AIS |
| Comment | Coquelle, N.,Colletier, J.P. |
| Gene_locus | torca-ACHE |
| Family | ACHE |
| InChIKey | AUFZKQKTTGOKEM-FCHUYYIVSA-N |
| CanonicalSMILES | CC1=C[CH]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)[CH](C2)C1 |
| InChI | InChI=1S/C31H36ClN3O3/c1-19-12-21-14-22(13-19)30-26(15-21)35-25-17-23(32)8-9-24(25)31(30)33-11-5-3-4-6-29(37)34-18-20-7-10-27(36)28(16-20)38-2/h7-10,12,16-17,21-22,36H,3-6,11,13-15,18H2,1-2H3,(H,33,35)(H,34,37)/t21-,22+/m0/s1 |
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