Abt-288
2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one
Molecular Identity
Abt-288
2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one
PubChem CID: 24743471
2D Structure
Properties
C23H24N4O
Molecular Formula
372.50
Molecular Weight
g/mol
372.1950
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
39.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
631
Complexity
SMILES
Canonical SMILES
SMILES: CN1CC2CCN(C2C1)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=O)C=CC=N5Isomeric SMILES
SMILES: CN1C[C@H]2CCN([C@H]2C1)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=O)C=CC=N5Synonyms(20)
ABT-288948845-91-85MEI1M3NHHABT 2882-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one2-(4-(4-((3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo(3,2-c)pyrrol-1-yl)phenyl)phenyl)pyridazin-3-oneRefChem:1085682-(4'-((3aR,6aR)-5-methyl-octahydropyrrolo(3,4-b)pyrrol-1-yl)-(1,1'-biphenyl)-4-yl)-2,3-dihydropyridazin-3-oneUNII-5MEI1M3NHHCHEMBL45270112-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-oneGNIRITULTPTAQWKNQAVFIVSANABT288GTPL6927orb1701285
Data from PubChem (NCBI)
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