A1C98
Summary
| Name: | Dordaviprone |
| Synonyms: | (10R)-7-benzyl-4-[(2-methylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one ONC201 |
| Formula: | C24 H26 N4 O |
| Formal charge: | 0 |
| Formula weight: | 386.489 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (10R)-7-benzyl-4-[(2-methylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 7-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),5-dien-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccccc1CN1C2=NCCN2C=2CCN(Cc3ccccc3)CC=2C1=O |
| InChI | InChI | 1.06 | InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3 |
| InChIKey | InChI | 1.06 | VLULRUCCHYVXOH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1CN2C(=O)C3=C(CCN(Cc4ccccc4)C3)N5CCN=C25 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1CN2C(=O)C3=C(CCN(Cc4ccccc4)C3)N5CCN=C25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1CN2C(=O)C3=C(CCN(C3)Cc4ccccc4)N5C2=NCC5 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1CN2C(=O)C3=C(CCN(C3)Cc4ccccc4)N5C2=NCC5 |
