Inhibitor Report for: C0I-7QHD
| C0I-7QHD | Type (7) |
|---|
| Other_Name | compound 39 |
| | C0I |
| Chemical_Nomenclature | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide |
| Formula | C40H46N6O2 |
| MW | 642.83 |
|  |
| Paper | Jing_2023_Bioorg.Chem_134_106465 |
| Structure | 7QHD |
| Gene_locus | human-BCHE |
| CID | 166175723 |
| Family | BCHE |
| InChIKey | XQXLUAZIHQBRBM-HKBQPEDESA-N |
| CanonicalSMILES | C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCNC(=O)C4CCCN(C4)CC5=CC=C(C=C5)C(=O)NCCC6=CNC7=CC=CC=C76 |
| InChI | InChI=1S/C40H46N6O2/c47-39(43-23-20-30-25-44-35-13-4-1-10-32(30)35)29-18-16-28(17-19-29)26-46-24-7-9-31(27-46)40(48)42-22-8-21-41-38-33-11-2-5-14-36(33)45-37-15-6-3-12-34(37)38/h1-2,4-5,10-11,13-14,16-19,25,31,44H,3,6-9,12,15,20-24,26-27H2,(H,41,45)(H,42,48)(H,43,47)/t31-/m0/s1 |
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