2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one

C151H123F2N33O18S14 — CID 167629530

IUPAC2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
SMILESCOc1cccc2nc(CC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)sc12.CS(=O)(=O)N(c1cccc(-c2csc(CC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1)S(C)(=O)=O.Nc1cccc(-c2csc(CC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1.O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)cs1.O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Cc1nc2c(F)cc(F)cc2s1.O=c1c2nccnc2nc(SCc2nc3ccccc3s2)n1CCc1ccccc1
InChIInChI=1S/C28H26N6O6S4.C26H20N6O4S2.C26H22N6O2S2.C25H21N5O3S2.C24H17F2N5O2S2.C22H17N5OS2/c1-43(37,38)34(44(2,39)40)21-10-6-9-20(15-21)23-18-41-24(31-23)16-22(35)17-42-28-32-26-25(29-12-13-30-26)27(36)33(28)14-11-19-7-4-3-5-8-19;33-20(14-22-29-21(16-37-22)18-7-4-8-19(13-18)32(35)36)15-38-26-30-24-23(27-10-11-28-24)25(34)31(26)12-9-17-5-2-1-3-6-17;27-19-8-4-7-18(13-19)21-16-35-22(30-21)14-20(33)15-36-26-31-24-23(28-10-11-29-24)25(34)32(26)12-9-17-5-2-1-3-6-17;1-33-19-9-5-8-18-22(19)35-20(28-18)14-17(31)15-34-25-29-23-21(26-11-12-27-23)24(32)30(25)13-10-16-6-3-2-4-7-16;25-15-10-17(26)20-18(11-15)35-19(29-20)12-16(32)13-34-24-30-22-21(27-7-8-28-22)23(33)31(24)9-6-14-4-2-1-3-5-14;28-21-19-20(24-12-11-23-19)26-22(27(21)13-10-15-6-2-1-3-7-15)29-14-18-25-16-8-4-5-9-17(16)30-18/h3-10,12-13,15,18H,11,14,16-17H2,1-2H3;1-8,10-11,13,16H,9,12,14-15H2;1-8,10-11,13,16H,9,12,14-15,27H2;2-9,11-12H,10,13-15H2,1H3;1-5,7-8,10-11H,6,9,12-13H2;1-9,11-12H,10,13-14H2
InChIKeyNPBOMUHUNXMWAV-UHFFFAOYSA-N
MW3174.79 g/mol
LogP24.09
Rot. Bonds54

About 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one

2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one (PubChem CID 167629530) has the molecular formula C151H123F2N33O18S14 and a molecular weight of 3174.79 g/mol. Its IUPAC name is 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one.

Molecular Properties

Compound Name2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
PubChem CID167629530
Molecular FormulaC151H123F2N33O18S14
Molecular Weight3174.79 g/mol
Exact Mass3171.58
IUPAC Name2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
SMILESCOc1cccc2nc(CC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)sc12.CS(=O)(=O)N(c1cccc(-c2csc(CC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1)S(C)(=O)=O.Nc1cccc(-c2csc(CC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1.O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)cs1.O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Cc1nc2c(F)cc(F)cc2s1.O=c1c2nccnc2nc(SCc2nc3ccccc3s2)n1CCc1ccccc1
InChIInChI=1S/C28H26N6O6S4.C26H20N6O4S2.C26H22N6O2S2.C25H21N5O3S2.C24H17F2N5O2S2.C22H17N5OS2/c1-43(37,38)34(44(2,39)40)21-10-6-9-20(15-21)23-18-41-24(31-23)16-22(35)17-42-28-32-26-25(29-12-13-30-26)27(36)33(28)14-11-19-7-4-3-5-8-19;33-20(14-22-29-21(16-37-22)18-7-4-8-19(13-18)32(35)36)15-38-26-30-24-23(27-10-11-28-24)25(34)31(26)12-9-17-5-2-1-3-6-17;27-19-8-4-7-18(13-19)21-16-35-22(30-21)14-20(33)15-36-26-31-24-23(28-10-11-29-24)25(34)32(26)12-9-17-5-2-1-3-6-17;1-33-19-9-5-8-18-22(19)35-20(28-18)14-17(31)15-34-25-29-23-21(26-11-12-27-23)24(32)30(25)13-10-16-6-3-2-4-7-16;25-15-10-17(26)20-18(11-15)35-19(29-20)12-16(32)13-34-24-30-22-21(27-7-8-28-22)23(33)31(24)9-6-14-4-2-1-3-5-14;28-21-19-20(24-12-11-23-19)26-22(27(21)13-10-15-6-2-1-3-7-15)29-14-18-25-16-8-4-5-9-17(16)30-18/h3-10,12-13,15,18H,11,14,16-17H2,1-2H3;1-8,10-11,13,16H,9,12,14-15H2;1-8,10-11,13,16H,9,12,14-15,27H2;2-9,11-12H,10,13-15H2,1H3;1-5,7-8,10-11H,6,9,12-13H2;1-9,11-12H,10,13-14H2
InChIKeyNPBOMUHUNXMWAV-UHFFFAOYSA-N
XLogP24.09
TPSA676.62 Ų
H-Bond Donors1
H-Bond Acceptors61
Rotatable Bonds54
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003174.79
LogP ≤ 524.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one with MolForge

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Related Compounds

2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 167629532
2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 167606799
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pteridin-4-one
CID 22518504
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]pyrido[2,3-d]pyrimidin-4-one
CID 46259888
2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271731
2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271710
3-[2-(4-chlorophenyl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 4139205
bis(3-(6,7-dimethoxy-1-methylisoquinolin-3-yl)aniline);N-[3-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]acetamide;N-[3-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]methanesulfonamide;N-[3-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]-N-methylsulfonylmethanesulfonamide;6,7-dimethoxy-1-methyl-3-(3-nitrophenyl)isoquinoline;methane;pentahydrochloride
CID 160847856
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 29197762
5-[(3-nitrophenyl)methylsulfanyl]-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 23877945
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 16958886
N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-(2-phenylethyl)quinazoline-7-carboxamide
CID 23847880

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one?
The IUPAC name of 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one (CID 167629530) is 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one.
What is the SMILES notation for 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one?
The canonical SMILES for 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one is COc1cccc2nc(CC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)sc12.CS(=O)(=O)N(c1cccc(-c2csc(CC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1)S(C)(=O)=O.Nc1cccc(-c2csc(CC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1.O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)cs1.O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Cc1nc2c(F)cc(F)cc2s1.O=c1c2nccnc2nc(SCc2nc3ccccc3s2)n1CCc1ccccc1.
What is the InChIKey of 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one?
The InChIKey is NPBOMUHUNXMWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O6S4.C26H20N6O4S2.C26H22N6O2S2.C25H21N5O3S2.C24H17F2N5O2S2.C22H17N5OS2/c1-43(37,38)34(44(2,39)40)21-10-6-9-20(15-21)23-18-41-24(31-23)16-22(35)17-42-28-32-26-25(29-12-13-30-26)27(36)33(28)14-11-19-7-4-3-5-8-19;33-20(14-22-29-21(16-37-22)18-7-4-8-19(13-18)32(35)36)15-38-26-30-24-23(27-10-11-28-24)25(34)31(26)12-9-17-5-2-1-3-6-17;27-19-8-4-7-18(13-19)21-16-35-22(30-21)14-20(33)15-36-26-31-24-23(28-10-11-29-24)25(34)32(26)12-9-17-5-2-1-3-6-17;1-33-19-9-5-8-18-22(19)35-20(28-18)14-17(31)15-34-25-29-23-21(26-11-12-27-23)24(32)30(25)13-10-16-6-3-2-4-7-16;25-15-10-17(26)20-18(11-15)35-19(29-20)12-16(32)13-34-24-30-22-21(27-7-8-28-22)23(33)31(24)9-6-14-4-2-1-3-5-14;28-21-19-20(24-12-11-23-19)26-22(27(21)13-10-15-6-2-1-3-7-15)29-14-18-25-16-8-4-5-9-17(16)30-18/h3-10,12-13,15,18H,11,14,16-17H2,1-2H3;1-8,10-11,13,16H,9,12,14-15H2;1-8,10-11,13,16H,9,12,14-15,27H2;2-9,11-12H,10,13-15H2,1H3;1-5,7-8,10-11H,6,9,12-13H2;1-9,11-12H,10,13-14H2.
What are the key properties of 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one?
2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one has a molecular weight of 3174.79 g/mol, XLogP of 24.09, 54 rotatable bonds, 1 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-phenylethyl)pteridin-4-one;2-[3-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;2-[3-(7-methoxy-1,3-benzothiazol-2-yl)-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one;N-methylsulfonyl-N-[3-[2-[2-oxo-3-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylpropyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one is sourced from PubChem (CID 167629530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).