Bioactive Compound Details
| BioID | bio197212 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL386112 |
| Molecular Formula | C60H58Br2N4O2 |
| Molecular Weight | 1026.96 |
| Molecular Weight (Monoisotopic) | 866.4549 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 4,4'-Bis(2-Naphthyl)Caracurinium V Dibromide |
| Smiles | C1=C2C[N@+]3(Cc4ccc5ccccc5c4)CCC45c6ccccc6N6C7OCC=C8C[N@+]9(Cc%10ccc%11ccccc%11c%10)CCC%10%11c%12ccccc%12N(C(OC1)C(C2CC43)C65)C%10C7C8CC%119.[Br-].[Br-] |
| Inchi | InChI=1S/C60H58N4O2.2BrH/c1-3-11-41-29-37(17-19-39(41)9-1)33-63-25-23-59-47-13-5-7-15-49(47)61-55(59)53-45(31-51(59)63)43(35-63)21-27-65-57(53)62-50-16-8-6-14-48(50)60-24-26-64(34-38-18-20-40-10-2-4-12-42(40)30-38)36-44-22-28-66-58(61)54(56(60)62)46(44)32-52(60)64;;/h1-22,29-30,45-46,51-58H,23-28,31-36H2;2*1H/q+2;;/p-2/t45?,46?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,63-,64-;;/m1../s1 |
| Inchi Key | JCYGXZPPIOQLFZ-JNAPZKABSA-L |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.93 |
| Records Key | ['23'] |
| Records Name | [4,4'-Bis(2-naphthyl)caracurinium V Dibromide"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
