Metarrestin
4-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol
Molecular Identity
Metarrestin
4-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol
PubChem CID: 50985821
2D Structure
Properties
C31H30N4O
Molecular Formula
474.60
Molecular Weight
g/mol
474.2420
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
64.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
759
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)OIsomeric SMILES
SMILES: C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)OSynonyms(20)
Metarrestin1443414-10-5ML-246ML246Q6A9F9DSX5MLS003678589SMR0023571044-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-olMetarrestin (ML246)trans-4-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-oltrans-4-(7-Benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-olMetarrestin (KUC109088N)KSC-212-20-P(1r,4r)-4-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol(1r,4r)-4-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)cyclohexanol
Data from PubChem (NCBI)
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Drug Network
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