Molecules/[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl] (2S)-thiiran-1-ium-2-carboxylate
[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl] (2S)-thiiran-1-ium-2-carboxylate
[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl] (2S)-thiiran-1-ium-2-carboxylate
Molecular Identity
[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl] (2S)-thiiran-1-ium-2-carboxylate
[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl] (2S)-thiiran-1-ium-2-carboxylate
PubChem CID: 124081742
2D Structure
Properties
C24H26ClN6O2S+
Molecular Formula
498.00
Molecular Weight
g/mol
497.1526
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
676
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4OC(=O)C5C[SH+]5)ClIsomeric SMILES
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4OC(=O)[C@H]5C[SH+]5)ClSynonyms(1)
T92
Data from PubChem (NCBI)
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Molecular Structure
[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl] (2S)-thiiran-1-ium-2-carboxylate
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Drug Network
Trials and conditions connected to [2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl] (2S)-thiiran-1-ium-2-carboxylate
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