Inhibitor Report for: Chloroalkane-carbopyronine-fluorophore
| Chloroalkane-carbopyronine-fluorophore | Type (2) |
|---|
| Other_Name | SCHEMBL22557909 |
| | OEK |
| Chemical_Nomenclature | [10-[2-carboxy-5-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyl]phenyl]-7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium |
| Formula | C38H49ClN3O5+ |
| MW | 663.3 |
|  |
| Paper | Wilhelm_2021_Biochemistry_60_2560 |
| Structure | 6Y7B |
| Gene_locus | rhoso-halo1 |
| CID | 155213054 |
| Family | Haloalkane_dehalogenase-HLD2 |
| InChIKey | BFWDBISDEDTHTG-UHFFFAOYSA-O |
| CanonicalSMILES | CC1(C2=CC(=[N+](C)C)C=CC2=C(C3=C1C=C(C=C3)N(C)C)C4=C(C=CC(=C4)C(=O)NCCOCCOCCCCCCCl)C(=O)O)C |
| InChI | InChI=1S/C38H48ClN3O5/c1-38(2)33-24-27(41(3)4)12-15-30(33)35(31-16-13-28(42(5)6)25-34(31)38)32-23-26(11-14-29(32)37(44)45)36(43)40-18-20-47-22-21-46-19-10-8-7-9-17-39/h11-16,23-25H,7-10,17-22H2,1-6H3,(H-,40,43,44,45)/p+1 |
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