Masupirdine
1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
Molecular Identity
Masupirdine
1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
PubChem CID: 10073773
2D Structure
Properties
C21H24BrN3O3S
Molecular Formula
478.40
Molecular Weight
g/mol
477.0722
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
63.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
650
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4BrIsomeric SMILES
SMILES: CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4BrSynonyms(20)
MasupirdineSUVN-502701205-60-9masupirdina8XZ281AO3GmasupirdinumRefChem:1559711-(2-bromobenzenesulfonyl)-5-methoxy-3-((4-methylpiperazin-1-yl)methyl)-1H-indoleMasupirdine free baseMasupirdine (free base)1-((2-Bromophenyl)sulfonyl)-5-methoxy-3-((4-methylpiperazin-1-yl)methyl)-1H-indole1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indoleCHEMBL4082473Masupirdin701205-60-9 (free base).
Data from PubChem (NCBI)
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Drug Network
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