N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid

C159H179Cl3F15N29O31S4 — CID 163558198

IUPACN-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)NCCCCCCCCN.CC(C)(C)OC(=O)c1ccc(N)cc1.CC(C)(C)OC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1.CS(=O)(=O)c1cccc(CN)c1.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc(C(=O)NCCCCCCCCN)cc3)ncc2C(F)(F)F)c1.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc(C(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)ncc2C(F)(F)F)c1.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc(C(=O)O)cc3)ncc2C(F)(F)F)c1.FC(F)(F)c1cnc(Cl)nc1Cl.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C43H45F3N8O9S.C28H35F3N6O3S.C20H17F3N4O4S.C16H15ClF3N3O2.C15H12N2O7.C13H28N2O2.C11H15NO2.C8H11NO2S.C5HCl2F3N2/c1-64(61,62)29-11-8-10-26(22-29)23-49-37-31(43(44,45)46)24-50-42(53-37)51-28-16-14-27(15-17-28)38(57)48-21-7-5-3-2-4-6-20-47-35(56)25-63-33-13-9-12-30-36(33)41(60)54(40(30)59)32-18-19-34(55)52-39(32)58;1-41(39,40)23-10-8-9-20(17-23)18-34-25-24(28(29,30)31)19-35-27(37-25)36-22-13-11-21(12-14-22)26(38)33-16-7-5-3-2-4-6-15-32;1-32(30,31)15-4-2-3-12(9-15)10-24-17-16(20(21,22)23)11-25-19(27-17)26-14-7-5-13(6-8-14)18(28)29;1-15(2,3)25-13(24)9-4-6-10(7-5-9)22-14-21-8-11(12(17)23-14)16(18,19)20;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20;1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14;1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;1-12(10,11)8-4-2-3-7(5-8)6-9;6-3-2(5(8,9)10)1-11-4(7)12-3/h8-17,22,24,32H,2-7,18-21,23,25H2,1H3,(H,47,56)(H,48,57)(H,52,55,58)(H2,49,50,51,53);8-14,17,19H,2-7,15-16,18,32H2,1H3,(H,33,38)(H2,34,35,36,37);2-9,11H,10H2,1H3,(H,28,29)(H2,24,25,26,27);4-8H,1-3H3,(H,21,22,23);1-3,8H,4-6H2,(H,19,20)(H,16,18,21);4-11,14H2,1-3H3,(H,15,16);4-7H,12H2,1-3H3;2-5H,6,9H2,1H3;1H
InChIKeyFOXKCLLXBBIIQU-UHFFFAOYSA-N
MW3511.95 g/mol
LogP26.94
Rot. Bonds60

About N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid

N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid (PubChem CID 163558198) has the molecular formula C159H179Cl3F15N29O31S4 and a molecular weight of 3511.95 g/mol. Its IUPAC name is N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid.

Molecular Properties

Compound NameN-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
PubChem CID163558198
Molecular FormulaC159H179Cl3F15N29O31S4
Molecular Weight3511.95 g/mol
Exact Mass3508.10
IUPAC NameN-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)NCCCCCCCCN.CC(C)(C)OC(=O)c1ccc(N)cc1.CC(C)(C)OC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1.CS(=O)(=O)c1cccc(CN)c1.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc(C(=O)NCCCCCCCCN)cc3)ncc2C(F)(F)F)c1.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc(C(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)ncc2C(F)(F)F)c1.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc(C(=O)O)cc3)ncc2C(F)(F)F)c1.FC(F)(F)c1cnc(Cl)nc1Cl.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C43H45F3N8O9S.C28H35F3N6O3S.C20H17F3N4O4S.C16H15ClF3N3O2.C15H12N2O7.C13H28N2O2.C11H15NO2.C8H11NO2S.C5HCl2F3N2/c1-64(61,62)29-11-8-10-26(22-29)23-49-37-31(43(44,45)46)24-50-42(53-37)51-28-16-14-27(15-17-28)38(57)48-21-7-5-3-2-4-6-20-47-35(56)25-63-33-13-9-12-30-36(33)41(60)54(40(30)59)32-18-19-34(55)52-39(32)58;1-41(39,40)23-10-8-9-20(17-23)18-34-25-24(28(29,30)31)19-35-27(37-25)36-22-13-11-21(12-14-22)26(38)33-16-7-5-3-2-4-6-15-32;1-32(30,31)15-4-2-3-12(9-15)10-24-17-16(20(21,22)23)11-25-19(27-17)26-14-7-5-13(6-8-14)18(28)29;1-15(2,3)25-13(24)9-4-6-10(7-5-9)22-14-21-8-11(12(17)23-14)16(18,19)20;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20;1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14;1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;1-12(10,11)8-4-2-3-7(5-8)6-9;6-3-2(5(8,9)10)1-11-4(7)12-3/h8-17,22,24,32H,2-7,18-21,23,25H2,1H3,(H,47,56)(H,48,57)(H,52,55,58)(H2,49,50,51,53);8-14,17,19H,2-7,15-16,18,32H2,1H3,(H,33,38)(H2,34,35,36,37);2-9,11H,10H2,1H3,(H,28,29)(H2,24,25,26,27);4-8H,1-3H3,(H,21,22,23);1-3,8H,4-6H2,(H,19,20)(H,16,18,21);4-11,14H2,1-3H3,(H,15,16);4-7H,12H2,1-3H3;2-5H,6,9H2,1H3;1H
InChIKeyFOXKCLLXBBIIQU-UHFFFAOYSA-N
XLogP26.94
TPSA892.14 Ų
H-Bond Donors19
H-Bond Acceptors50
Rotatable Bonds60
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003511.95
LogP ≤ 526.94
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid with MolForge

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Related Compounds

N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 153268293
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[5-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]pentyl]acetamide
CID 148098082
lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide
CID 157671346
N-[4-[4-[4-[[4-[3-(tert-butylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-4-oxobutyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;N-[4-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-4-oxobutyl]-2,2,2-trifluoroacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methane
CID 158712538
N-[4-[4-[4-[[4-[3-(tert-butylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-4-oxobutyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;N-[4-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-4-oxobutyl]-2,2,2-trifluoroacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid
CID 159580229
lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide
CID 160287299
lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide
CID 161495129
(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 161616656
[4-(5-aminopentyl)piperazin-1-yl]-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone;tert-butyl N-(5-bromopentyl)carbamate;tert-butyl piperazine-1-carboxylate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[5-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]pentyl]acetamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid;[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 163532337
2-[[2-[4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[5-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]pentyl]acetamide;N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-2-[[2-[5-methyl-4-[1-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperidin-4-yl]-2-propan-2-yloxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 163937742
lithium;N-(4-aminobutyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;1-(4-amino-3-methoxyphenyl)ethanone;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;ethyl 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoate;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide
CID 165050290
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;2,2,2-trifluoroacetic acid
CID 165099910

Frequently Asked Questions

What is the IUPAC name of N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid?
The IUPAC name of N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid (CID 163558198) is N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid.
What is the SMILES notation for N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid?
The canonical SMILES for N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid is CC(C)(C)OC(=O)NCCCCCCCCN.CC(C)(C)OC(=O)c1ccc(N)cc1.CC(C)(C)OC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1.CS(=O)(=O)c1cccc(CN)c1.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc(C(=O)NCCCCCCCCN)cc3)ncc2C(F)(F)F)c1.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc(C(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)ncc2C(F)(F)F)c1.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc(C(=O)O)cc3)ncc2C(F)(F)F)c1.FC(F)(F)c1cnc(Cl)nc1Cl.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid?
The InChIKey is FOXKCLLXBBIIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45F3N8O9S.C28H35F3N6O3S.C20H17F3N4O4S.C16H15ClF3N3O2.C15H12N2O7.C13H28N2O2.C11H15NO2.C8H11NO2S.C5HCl2F3N2/c1-64(61,62)29-11-8-10-26(22-29)23-49-37-31(43(44,45)46)24-50-42(53-37)51-28-16-14-27(15-17-28)38(57)48-21-7-5-3-2-4-6-20-47-35(56)25-63-33-13-9-12-30-36(33)41(60)54(40(30)59)32-18-19-34(55)52-39(32)58;1-41(39,40)23-10-8-9-20(17-23)18-34-25-24(28(29,30)31)19-35-27(37-25)36-22-13-11-21(12-14-22)26(38)33-16-7-5-3-2-4-6-15-32;1-32(30,31)15-4-2-3-12(9-15)10-24-17-16(20(21,22)23)11-25-19(27-17)26-14-7-5-13(6-8-14)18(28)29;1-15(2,3)25-13(24)9-4-6-10(7-5-9)22-14-21-8-11(12(17)23-14)16(18,19)20;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20;1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14;1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;1-12(10,11)8-4-2-3-7(5-8)6-9;6-3-2(5(8,9)10)1-11-4(7)12-3/h8-17,22,24,32H,2-7,18-21,23,25H2,1H3,(H,47,56)(H,48,57)(H,52,55,58)(H2,49,50,51,53);8-14,17,19H,2-7,15-16,18,32H2,1H3,(H,33,38)(H2,34,35,36,37);2-9,11H,10H2,1H3,(H,28,29)(H2,24,25,26,27);4-8H,1-3H3,(H,21,22,23);1-3,8H,4-6H2,(H,19,20)(H,16,18,21);4-11,14H2,1-3H3,(H,15,16);4-7H,12H2,1-3H3;2-5H,6,9H2,1H3;1H.
What are the key properties of N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid?
N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid has a molecular weight of 3511.95 g/mol, XLogP of 26.94, 60 rotatable bonds, 19 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminooctyl)-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;tert-butyl 4-aminobenzoate;tert-butyl N-(8-aminooctyl)carbamate;tert-butyl 4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(3-methylsulfonylphenyl)methanamine;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid is sourced from PubChem (CID 163558198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).