Menin-MLL inhibitor 27
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]-[2-[6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
Molecular Identity
Menin-MLL inhibitor 27
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]-[2-[6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
PubChem CID: 168429555
2D Structure
Properties
C31H35FN8O2
Molecular Formula
570.70
Molecular Weight
g/mol
570.2867
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
971
Complexity
SMILES
Canonical SMILES
SMILES: C1CC2CNC(C2C1)C(=O)N3CCC4(CC3)CN(C4)C5=C(N=NC=N5)OC6=C(C=C(C=C6)F)C7=CN=CN=C7C8CC8Isomeric SMILES
SMILES: C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)N3CCC4(CC3)CN(C4)C5=C(N=NC=N5)OC6=C(C=C(C=C6)F)C7=CN=CN=C7C8CC8Synonyms(20)
BN-1042938995-50-5Menin-MLL inhibitor 27BN104Zefamenibzefamenib [INN]CHEMBL6068545SCHEMBL25596582SCHEMBL31018379L25B98F8W3EX-A9715[2-[6-[2-(4-Cyclopropyl-5-pyrimidinyl)-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl][(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrol-1-yl]methanoneDA-71604SY476330HY-153714
Data from PubChem (NCBI)
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Trials and conditions connected to Menin-MLL inhibitor 27
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