Inhibitor Report for: 8UE-7AIV-compound5f
8UE-7AIV-compound5f | Type (6) |
| Other_Name | 8UE |
| | compound5f |
| Chemical_Nomenclature | 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide |
| Formula | C34H34ClN3O3 |
| MW | 568.11 |
| |
| Paper | Viayna_2021_J.Med.Chem_64_812 |
| Structure | 7AIV |
| Comment | Coquelle, N.,Colletier, J.P. |
| Gene_locus | torca-ACHE |
| CID | 156612852 |
| Family | ACHE |
| InChIKey | BWBXSBFNPJZWIY-LOSJGSFVSA-N |
| CanonicalSMILES | CC1=C[CH]2C[CH](C1)Cc3c2c(c4ccc(cc4n3)Cl)NCc5ccc(cc5)CC(=O)NCc6ccc(c(c6)OC)O |
| InChI | InChI=1S/C34H34ClN3O3/c1-20-11-24-13-25(12-20)33-29(14-24)38-28-17-26(35)8-9-27(28)34(33)37-18-22-5-3-21(4-6-22)16-32(40)36-19-23-7-10-30(39)31(15-23)41-2/h3-10,12,15,17,24-25,39H,11,13-14,16,18-19H2,1-2H3,(H,36,40)(H,37,38)/t24-,25+/m0/s1 |
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