Rosabulin
2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
Molecular Identity
Rosabulin
2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
PubChem CID: 9843935
2D Structure
Properties
C22H16N4O2S
Molecular Formula
400.50
Molecular Weight
g/mol
400.0994
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
669
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NSC(=C1)NC(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)C#NIsomeric SMILES
SMILES: CC1=NSC(=C1)NC(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)C#NSynonyms(20)
RosabulinSTA-5312STA 5312Rosabulin [USAN:INN]UNII-6Z674O12T6Rosabulin [USAN]rosabulinarosabulineRosabulin (USAN)6Z674O12T6ROSABULIN [INN]3-[(4-Cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-alpha-oxo-1-indolizineacetamideDTXSID601982351-Indolizineacetamide, 3-((4-cyanophenyl)methyl)-N-(3-methyl-5-isothiazolyl)-alpha-oxo-rosabulinum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rosabulin
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