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| Duplicate ID | |
|---|---|
| Smiles | COc1ccc(cc1)c1ccc(nn1)N1CCC(CC1)C(=O)Nc1cccnc1 |
| Cas Number | 1105231-28-4 |
| InchiKey | KEMQSVQPBATOHY-UHFFFAOYSA-N |
| InChi | InChI=1S/C22H23N5O2/c1-29-19-6-4-16(5-7-19)20-8-9-21(26-25-20)27-13-10-17(11-14-27)22(28)24-18-3-2-12-23-15-18/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,24,28) |
| Formula | C22H23N5O2 |
| Molecular weight | 389.45 |
| Rings | 4 |
| logP | 3.5403 |
| PSA | 80.24 |
| MR | 115.038 |