Molecules/[2-({4-[1,3-Benzothiazol-5-YL)amino]-6-(2-methylpropane-2-sulfonyl)quinazolin-7-YL}oxy)ethoxy}phosphonic acid
[2-({4-[1,3-Benzothiazol-5-YL)amino]-6-(2-methylpropane-2-sulfonyl)quinazolin-7-YL}oxy)ethoxy}phosphonic acid
2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethyl dihydrogen phosphate
Molecular Identity
[2-({4-[1,3-Benzothiazol-5-YL)amino]-6-(2-methylpropane-2-sulfonyl)quinazolin-7-YL}oxy)ethoxy}phosphonic acid
2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethyl dihydrogen phosphate
PubChem CID: 73386708
2D Structure
Properties
C21H23N4O7PS2
Molecular Formula
538.50
Molecular Weight
g/mol
538.0746
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
197
TPSA
May have limited oral absorption
3
H-Bond Donors
12
H-Bond Acceptors
878
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)S(=O)(=O)C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)SC=N4)OCCOP(=O)(O)OIsomeric SMILES
SMILES: CC(C)(C)S(=O)(=O)C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)SC=N4)OCCOP(=O)(O)OSynonyms(20)
1579965-12-0[2-({4-[1,3-Benzothiazol-5-YL)amino]-6-(2-methylpropane-2-sulfonyl)quinazolin-7-YL}oxy)ethoxy}phosphonic acid(2-((4-(1,3-BENZOTHIAZOL-5-YL)AMINO)-6-(2-METHYLPROPANE-2-SULFONYL)QUINAZOLIN-7-YL)OXY)ETHOXY)PHOSPHONIC ACIDRefChem:394757855-079-1GSK2983559 free acid2-((4-(benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl dihydrogen phosphateGSK2983559MFCD30489430RIP2-IN-3CHEMBL4596287GSK2983559 (free acid)GSK2983559 (compound 3)2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethyl dihydrogen phosphate2-[[4-(5-benzothiazolylamino)-6-[(1,1-dimethylethyl)sulfonyl]-7-quinazolinyl]oxy]-ethanol, 1-(dihydrogen phosphate)
Data from PubChem (NCBI)
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Molecular Structure
[2-({4-[1,3-Benzothiazol-5-YL)amino]-6-(2-methylpropane-2-sulfonyl)quinazolin-7-YL}oxy)ethoxy}phosphonic acid
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Drug Network
Trials and conditions connected to [2-({4-[1,3-Benzothiazol-5-YL)amino]-6-(2-methylpropane-2-sulfonyl)quinazolin-7-YL}oxy)ethoxy}phosphonic acid
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