Inhibitor Report for: C4I-7QHE
| C4I-7QHE | Type (7) |
|---|
| Other_Name | compound 43 |
| | C4I |
| Chemical_Nomenclature | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide |
| Formula | C40H43N5O2 |
| MW | 625.80 |
|  |
| Paper | Jing_2023_Bioorg.Chem_134_106465 |
| Structure | 7QHE |
| Gene_locus | human-BCHE |
| CID | 166174527 |
| Family | BCHE |
| InChIKey | YUEGXFMZPDSPEB-HKBQPEDESA-N |
| CanonicalSMILES | C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCNC(=O)C4CCCN(C4)CC5=CC=C(C=C5)C(=O)NC6=CC=CC7=CC=CC=C76 |
| InChI | InChI=1S/C40H43N5O2/c46-39(42-24-9-23-41-38-33-14-3-5-16-36(33)43-37-17-6-4-15-34(37)38)31-12-8-25-45(27-31)26-28-19-21-30(22-20-28)40(47)44-35-18-7-11-29-10-1-2-13-32(29)35/h1-3,5,7,10-11,13-14,16,18-22,31H,4,6,8-9,12,15,17,23-27H2,(H,41,43)(H,42,46)(H,44,47)/t31-/m0/s1 |
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