| BioID | bio198447 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL86078 |
|---|
| Molecular Formula | C18H12ClN3O |
|---|
| Molecular Weight | 321.77 |
|---|
| Molecular Weight (Monoisotopic) | 321.0669 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 2-Chlororutaecarpine |
|---|
| Smiles | O=c1c2ccc(Cl)cc2nc2n1CCc1c-2[nH]c2ccccc12 |
|---|
| Inchi | InChI=1S/C18H12ClN3O/c19-10-5-6-13-15(9-10)21-17-16-12(7-8-22(17)18(13)23)11-3-1-2-4-14(11)20-16/h1-6,9,20H,7-8H2 |
|---|
| Inchi Key | MOCSLOZYIMTBSL-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.35 |
|---|
| Records Key | ['12', '9g'] |
|---|
| Records Name | [2-Chloro-8,13-dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one", '2-Chlororutaecarpine']" |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
