M75Luq6daw
propan-2-yl 2-[4-[[4-[[(2,6-dichlorophenyl)methyl-ethylamino]methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
Molecular Identity
M75Luq6daw
propan-2-yl 2-[4-[[4-[[(2,6-dichlorophenyl)methyl-ethylamino]methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID: 67322917
2D Structure
Properties
C30H36Cl2N4O2
Molecular Formula
555.50
Molecular Weight
g/mol
554.2215
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
48.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
702
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=CC=N3)C(=O)OC(C)C)CC4=C(C=CC=C4Cl)ClIsomeric SMILES
SMILES: CCN(CC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=CC=N3)C(=O)OC(C)C)CC4=C(C=CC=C4Cl)ClSynonyms(8)
GSK2339345GSK-2339345M75LUQ6DAWSCHEMBL2223097CHEMBL60685511-Methylethyl 2-[4-[[4-[[[(2,6-dichlorophenyl)methyl]ethylamino]methyl]phenyl]methyl]-1-piperazinyl]-3-pyridinecarboxylate1315559-34-23-Pyridinecarboxylic acid, 2-[4-[[4-[[[(2,6-dichlorophenyl)methyl]ethylamino]methyl]phenyl]methyl]-1-piperazinyl]-, 1-methylethyl ester
Data from PubChem (NCBI)
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