(8S,9aS)-1'-[(2-methoxypyridin-4-yl)methyl]-8-[methyl-(1-methylpiperidin-4-yl)amino]spiro[2,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-3,4'-piperidine]-1,5-dione

AlkaPlorer ID: AK484884

Synonym: None

IUPAC Name: (8S,9aS)-1'-[(2-methoxypyridin-4-yl)methyl]-8-[methyl-(1-methylpiperidin-4-yl)amino]spiro[2,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-3,4'-piperidine]-1,5-dione

Structure

SMILES: COC1=CC(CN2CCC3(CC2)CC(=O)N2C[C@@H](N(C)C4CCN(C)CC4)C[C@H]2C(=O)N3)=CC=N1

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InChI: InChI=1S/C26H40N6O3/c1-29-10-5-20(6-11-29)30(2)21-15-22-25(34)28-26(16-24(33)32(22)18-21)7-12-31(13-8-26)17-19-4-9-27-23(14-19)35-3/h4,9,14,20-22H,5-8,10-13,15-18H2,1-3H3,(H,28,34)/t21-,22-/m0/s1

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InChIKey: OZAAOPVRNKJQJL-VXKWHMMOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 484.64500000000027

TPSA: 81.25

MolLogP: 0.9402000000000036

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information