Pf-03715455
1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)pyrazol-5-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methyl]urea
Molecular Identity
Pf-03715455
1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)pyrazol-5-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methyl]urea
PubChem CID: 11714580
2D Structure
Properties
C35H34ClN7O3S2
Molecular Formula
700.30
Molecular Weight
g/mol
699.1853
Exact Mass
Da
7.5
XLogP
Above Lipinski threshold
180
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NCC2=CC=CC=C2SC3=CN4C(=NN=C4C5=CC=CC=C5SCCO)C=C3)C6=CC(=C(C=C6)O)ClIsomeric SMILES
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NCC2=CC=CC=C2SC3=CN4C(=NN=C4C5=CC=CC=C5SCCO)C=C3)C6=CC(=C(C=C6)O)ClSynonyms(20)
PF-037154551056164-52-3PF-37154550TJ631J0KPDTXSID701472141-(5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl)-3-((2-((3-(2-(2-hydroxyethylsulfanyl)phenyl)-(1,2,4)triazolo(3,4-f)pyridin-6-yl)sulfanyl)phenyl)methyl)urea1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridin-6-yl]sulfanyl]phenyl]methyl]ureaRefChem:172225PF03715455PF 03715455DTXCID00697053-(3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl)-1-((2-((3-(2-((2-hydroxyethyl)sulfanyl)phenyl)-(1,2,4)triazolo(4,3-a)pyridin-6-yl)sulfanyl)phenyl)methyl)ureaUNII-0TJ631J0KP1-(3-(tert-butyl)-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl)-3-(2-((3-(2-((2-hydroxyethyl)thio)phenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thio)benzyl)ureaCHEMBL1938400
Data from PubChem (NCBI)
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Drug Network
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