Molecules/2-[(2R)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
2-[(2R)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
2-[(2R)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
Molecular Identity
2-[(2R)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
2-[(2R)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
PubChem CID: 169422740
2D Structure
Properties
C27H26Cl2N4O4S
Molecular Formula
573.50
Molecular Weight
g/mol
572.1052
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
848
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CCN1C2=NC3=C(C=C(C=C3S2)C(=O)O)OC)CC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6Isomeric SMILES
SMILES: C[C@@H]1CN(CCN1C2=NC3=C(C=C(C=C3S2)C(=O)O)OC)CC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6Synonyms(16)
HPG18602226133-29-3CHEMBL54258462-[(2R)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid2-[(2R)-4-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl}-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acidorb2695202SCHEMBL25881621SCHEMBL30500165GTPL12910GLXC-27570HPG-1860BDBM50624069compound 23 [PMID: 37424079]HY-169792T201349
Data from PubChem (NCBI)
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Molecular Structure
2-[(2R)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
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Drug Network
Trials and conditions connected to 2-[(2R)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
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