disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide

C166H211BrN31Na2O37PdS+ — CID 159785548

About disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide

disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide (PubChem CID 159785548) has the molecular formula C166H211BrN31Na2O37PdS+ and a molecular weight of 3497.06 g/mol. Its IUPAC name is disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide.

Molecular Properties

• Compound Name: disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide
• PubChem CID: 159785548
• Molecular Formula: C166H211BrN31Na2O37PdS+
• Molecular Weight: 3497.06 g/mol
• Exact Mass: 3493.33
• IUPAC Name: disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide
• SMILES: Br.C=C(CC(CC(=O)c1ccc(CCc2c[nH]c3nc(N)nc(N)c23)cc1)C(=O)OCC)C(=O)OCC.C=C(CC(N)C(=O)OCC)C(=O)OCC.C=C(CC(NC(=O)c1ccc(CCc2c[nH]c3nc(N)nc(N)c23)cc1)C(=O)O)C(=O)O.C=CCO.CC(=O)O.CC(=O)O.CCN(CC)CC.CCOC(=O)c1ccc(C)cc1.CCOC(=O)c1ccc(CCC(=O)CO)cc1.CCOC(=O)c1ccc(CCC=O)cc1.CCOC(=O)c1ccc(CCc2c[nH]c3nc(N)nc(N)c23)cc1.CC[n+]1csc2ccccc21.Nc1nc(N)c2c(CCc3ccc(C(=O)O)cc3)c[nH]c2n1.[C-]#[N+]CC#N.[C-]#[N+]c1c(CCc2ccc(C(=O)OCC)cc2)coc1N.[H]N=C(N)N.[Na+].[Na+].[OH-].[OH-].[Pd]
• InChI: InChI=1S/C26H31N5O5.C21H22N6O5.C17H19N5O2.C16H16N2O3.C15H15N5O2.C13H16O4.C12H14O3.C10H17NO4.C10H12O2.C9H10NS.C6H15N.C3H2N2.C3H6O.2C2H4O2.CH5N3.BrH.2Na.2H2O.Pd/c1-4-35-24(33)15(3)12-19(25(34)36-5-2)13-20(32)17-9-6-16(7-10-17)8-11-18-14-29-23-21(18)22(27)30-26(28)31-23;1-10(19(29)30)8-14(20(31)32)25-18(28)12-5-2-11(3-6-12)4-7-13-9-24-17-15(13)16(22)26-21(23)27-17;1-2-24-16(23)11-6-3-10(4-7-11)5-8-12-9-20-15-13(12)14(18)21-17(19)22-15;1-3-20-16(19)12-7-4-11(5-8-12)6-9-13-10-21-15(17)14(13)18-2;16-12-11-10(7-18-13(11)20-15(17)19-12)6-3-8-1-4-9(5-2-8)14(21)22;1-2-17-13(16)11-6-3-10(4-7-11)5-8-12(15)9-14;1-2-15-12(14)11-7-5-10(6-8-11)4-3-9-13;1-4-14-9(12)7(3)6-8(11)10(13)15-5-2;1-3-12-10(11)9-6-4-8(2)5-7-9;1-2-10-7-11-9-6-4-3-5-8(9)10;1-4-7(5-2)6-3;1-5-3-2-4;1-2-3-4;2*1-2(3)4;2-1(3)4;;;;;;/h6-7,9-10,14,19H,3-5,8,11-13H2,1-2H3,(H5,27,28,29,30,31);2-3,5-6,9,14H,1,4,7-8H2,(H,25,28)(H,29,30)(H,31,32)(H5,22,23,24,26,27);3-4,6-7,9H,2,5,8H2,1H3,(H5,18,19,20,21,22);4-5,7-8,10H,3,6,9,17H2,1H3;1-2,4-5,7H,3,6H2,(H,21,22)(H5,16,17,18,19,20);3-4,6-7,14H,2,5,8-9H2,1H3;5-9H,2-4H2,1H3;8H,3-6,11H2,1-2H3;4-7H,3H2,1-2H3;3-7H,2H2,1H3;4-6H2,1-3H3;3H2;2,4H,1,3H2;2*1H3,(H,3,4);(H5,2,3,4);1H;;;2*1H2;/q;;;;;;;;;+1;;;;;;;;2*+1;;;/p-2
• InChIKey: IJTKYUJIMSIOCY-UHFFFAOYSA-L
• XLogP: 14.67
• TPSA: 1159.11 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 54
• Rotatable Bonds: 59
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3497.06
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide?

The IUPAC name of disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide (CID 159785548) is disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide.

What is the SMILES notation for disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide?

The canonical SMILES for disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide is Br.C=C(CC(CC(=O)c1ccc(CCc2c[nH]c3nc(N)nc(N)c23)cc1)C(=O)OCC)C(=O)OCC.C=C(CC(N)C(=O)OCC)C(=O)OCC.C=C(CC(NC(=O)c1ccc(CCc2c[nH]c3nc(N)nc(N)c23)cc1)C(=O)O)C(=O)O.C=CCO.CC(=O)O.CC(=O)O.CCN(CC)CC.CCOC(=O)c1ccc(C)cc1.CCOC(=O)c1ccc(CCC(=O)CO)cc1.CCOC(=O)c1ccc(CCC=O)cc1.CCOC(=O)c1ccc(CCc2c[nH]c3nc(N)nc(N)c23)cc1.CC[n+]1csc2ccccc21.Nc1nc(N)c2c(CCc3ccc(C(=O)O)cc3)c[nH]c2n1.[C-]#[N+]CC#N.[C-]#[N+]c1c(CCc2ccc(C(=O)OCC)cc2)coc1N.[H]N=C(N)N.[Na+].[Na+].[OH-].[OH-].[Pd].

What is the InChIKey of disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide?

The InChIKey is IJTKYUJIMSIOCY-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H31N5O5.C21H22N6O5.C17H19N5O2.C16H16N2O3.C15H15N5O2.C13H16O4.C12H14O3.C10H17NO4.C10H12O2.C9H10NS.C6H15N.C3H2N2.C3H6O.2C2H4O2.CH5N3.BrH.2Na.2H2O.Pd/c1-4-35-24(33)15(3)12-19(25(34)36-5-2)13-20(32)17-9-6-16(7-10-17)8-11-18-14-29-23-21(18)22(27)30-26(28)31-23;1-10(19(29)30)8-14(20(31)32)25-18(28)12-5-2-11(3-6-12)4-7-13-9-24-17-15(13)16(22)26-21(23)27-17;1-2-24-16(23)11-6-3-10(4-7-11)5-8-12-9-20-15-13(12)14(18)21-17(19)22-15;1-3-20-16(19)12-7-4-11(5-8-12)6-9-13-10-21-15(17)14(13)18-2;16-12-11-10(7-18-13(11)20-15(17)19-12)6-3-8-1-4-9(5-2-8)14(21)22;1-2-17-13(16)11-6-3-10(4-7-11)5-8-12(15)9-14;1-2-15-12(14)11-7-5-10(6-8-11)4-3-9-13;1-4-14-9(12)7(3)6-8(11)10(13)15-5-2;1-3-12-10(11)9-6-4-8(2)5-7-9;1-2-10-7-11-9-6-4-3-5-8(9)10;1-4-7(5-2)6-3;1-5-3-2-4;1-2-3-4;2*1-2(3)4;2-1(3)4;;;;;;/h6-7,9-10,14,19H,3-5,8,11-13H2,1-2H3,(H5,27,28,29,30,31);2-3,5-6,9,14H,1,4,7-8H2,(H,25,28)(H,29,30)(H,31,32)(H5,22,23,24,26,27);3-4,6-7,9H,2,5,8H2,1H3,(H5,18,19,20,21,22);4-5,7-8,10H,3,6,9,17H2,1H3;1-2,4-5,7H,3,6H2,(H,21,22)(H5,16,17,18,19,20);3-4,6-7,14H,2,5,8-9H2,1H3;5-9H,2-4H2,1H3;8H,3-6,11H2,1-2H3;4-7H,3H2,1-2H3;3-7H,2H2,1H3;4-6H2,1-3H3;3H2;2,4H,1,3H2;2*1H3,(H,3,4);(H5,2,3,4);1H;;;2*1H2;/q;;;;;;;;;+1;;;;;;;;2*+1;;;/p-2.

What are the key properties of disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide?

disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide has a molecular weight of 3497.06 g/mol, XLogP of 14.67, 59 rotatable bonds, 25 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;acetic acid;4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid;2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;diethyl 2-amino-4-methylidenepentanedioate;diethyl 2-[2-[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-2-oxoethyl]-4-methylidenepentanedioate;N,N-diethylethanamine;ethyl 4-[2-(5-amino-4-isocyanofuran-3-yl)ethyl]benzoate;3-ethyl-1,3-benzothiazol-3-ium;ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;ethyl 4-(4-hydroxy-3-oxobutyl)benzoate;ethyl 4-methylbenzoate;ethyl 4-(3-oxopropyl)benzoate;guanidine;2-isocyanoacetonitrile;palladium;prop-2-en-1-ol;dihydroxide;hydrobromide is sourced from PubChem (CID 159785548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).