magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide

C134H166BrCl8F8MgN39O21 — CID 157073623

IUPACmagnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide
SMILESC1CCOC1.C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3cc(Cl)c(F)cc3C(C)(C)O)n2)c(OC)cc1N(C)CCN(C)C.CC(C)(O)c1cc(F)c(Cl)cc1N.CNCCN(C)C.COC(=O)c1cc(F)c(Cl)cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C27H34ClFN8O3.C24H30ClFN8O4.C24H32ClFN8O2.C19H17ClF2N6O4.C10H7ClFN5O3.C9H11ClFNO.C8H7ClFNO2.C5H14N2.C4H8O.C3H3ClO.CH3.BrH.Mg/c1-8-24(38)32-20-13-21(23(40-7)14-22(20)37(6)10-9-36(4)5)34-26-31-15-30-25(35-26)33-19-12-17(28)18(29)11-16(19)27(2,3)39;1-24(2,35)14-9-16(26)15(25)10-17(14)29-22-27-13-28-23(31-22)30-18-11-20(34(36)37)19(12-21(18)38-6)33(5)8-7-32(3)4;1-24(2,35)14-9-16(26)15(25)10-18(14)30-22-28-13-29-23(32-22)31-19-11-17(27)20(12-21(19)36-6)34(5)8-7-33(3)4;1-19(2,29)9-4-11(21)10(20)5-13(9)25-17-23-8-24-18(27-17)26-14-7-15(28(30)31)12(22)6-16(14)32-3;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;1-9(2,13)5-3-7(11)6(10)4-8(5)12;1-13-8(12)4-2-6(10)5(9)3-7(4)11;1-6-4-5-7(2)3;1-2-4-5-3-1;1-2-3(4)5;;;/h8,11-15,39H,1,9-10H2,2-7H3,(H,32,38)(H2,30,31,33,34,35);9-13,35H,7-8H2,1-6H3,(H2,27,28,29,30,31);9-13,35H,7-8,27H2,1-6H3,(H2,28,29,30,31,32);4-8,29H,1-3H3,(H2,23,24,25,26,27);2-4H,1H3,(H,13,14,15,16);3-4,13H,12H2,1-2H3;2-3H,11H2,1H3;6H,4-5H2,1-3H3;1-4H2;2H,1H2;1H3;1H;/q;;;;;;;;;;-1;;+2/p-1
InChIKeyNEBUQUVXFPIJIE-UHFFFAOYSA-M
MW3198.87 g/mol
LogP22.24
Rot. Bonds50

About magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide

magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide (PubChem CID 157073623) has the molecular formula C134H166BrCl8F8MgN39O21 and a molecular weight of 3198.87 g/mol. Its IUPAC name is magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide.

Molecular Properties

Compound Namemagnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide
PubChem CID157073623
Molecular FormulaC134H166BrCl8F8MgN39O21
Molecular Weight3198.87 g/mol
Exact Mass3191.95
IUPAC Namemagnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide
SMILESC1CCOC1.C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3cc(Cl)c(F)cc3C(C)(C)O)n2)c(OC)cc1N(C)CCN(C)C.CC(C)(O)c1cc(F)c(Cl)cc1N.CNCCN(C)C.COC(=O)c1cc(F)c(Cl)cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C27H34ClFN8O3.C24H30ClFN8O4.C24H32ClFN8O2.C19H17ClF2N6O4.C10H7ClFN5O3.C9H11ClFNO.C8H7ClFNO2.C5H14N2.C4H8O.C3H3ClO.CH3.BrH.Mg/c1-8-24(38)32-20-13-21(23(40-7)14-22(20)37(6)10-9-36(4)5)34-26-31-15-30-25(35-26)33-19-12-17(28)18(29)11-16(19)27(2,3)39;1-24(2,35)14-9-16(26)15(25)10-17(14)29-22-27-13-28-23(31-22)30-18-11-20(34(36)37)19(12-21(18)38-6)33(5)8-7-32(3)4;1-24(2,35)14-9-16(26)15(25)10-18(14)30-22-28-13-29-23(32-22)31-19-11-17(27)20(12-21(19)36-6)34(5)8-7-33(3)4;1-19(2,29)9-4-11(21)10(20)5-13(9)25-17-23-8-24-18(27-17)26-14-7-15(28(30)31)12(22)6-16(14)32-3;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;1-9(2,13)5-3-7(11)6(10)4-8(5)12;1-13-8(12)4-2-6(10)5(9)3-7(4)11;1-6-4-5-7(2)3;1-2-4-5-3-1;1-2-3(4)5;;;/h8,11-15,39H,1,9-10H2,2-7H3,(H,32,38)(H2,30,31,33,34,35);9-13,35H,7-8H2,1-6H3,(H2,27,28,29,30,31);9-13,35H,7-8,27H2,1-6H3,(H2,28,29,30,31,32);4-8,29H,1-3H3,(H2,23,24,25,26,27);2-4H,1H3,(H,13,14,15,16);3-4,13H,12H2,1-2H3;2-3H,11H2,1H3;6H,4-5H2,1-3H3;1-4H2;2H,1H2;1H3;1H;/q;;;;;;;;;;-1;;+2/p-1
InChIKeyNEBUQUVXFPIJIE-UHFFFAOYSA-M
XLogP22.24
TPSA772.81 Ų
H-Bond Donors19
H-Bond Acceptors56
Rotatable Bonds50
Heavy Atoms212
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003198.87
LogP ≤ 522.24
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide?
The IUPAC name of magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide (CID 157073623) is magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide.
What is the SMILES notation for magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide?
The canonical SMILES for magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide is C1CCOC1.C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3cc(Cl)c(F)cc3C(C)(C)O)n2)c(OC)cc1N(C)CCN(C)C.CC(C)(O)c1cc(F)c(Cl)cc1N.CNCCN(C)C.COC(=O)c1cc(F)c(Cl)cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide?
The InChIKey is NEBUQUVXFPIJIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H34ClFN8O3.C24H30ClFN8O4.C24H32ClFN8O2.C19H17ClF2N6O4.C10H7ClFN5O3.C9H11ClFNO.C8H7ClFNO2.C5H14N2.C4H8O.C3H3ClO.CH3.BrH.Mg/c1-8-24(38)32-20-13-21(23(40-7)14-22(20)37(6)10-9-36(4)5)34-26-31-15-30-25(35-26)33-19-12-17(28)18(29)11-16(19)27(2,3)39;1-24(2,35)14-9-16(26)15(25)10-17(14)29-22-27-13-28-23(31-22)30-18-11-20(34(36)37)19(12-21(18)38-6)33(5)8-7-32(3)4;1-24(2,35)14-9-16(26)15(25)10-18(14)30-22-28-13-29-23(32-22)31-19-11-17(27)20(12-21(19)36-6)34(5)8-7-33(3)4;1-19(2,29)9-4-11(21)10(20)5-13(9)25-17-23-8-24-18(27-17)26-14-7-15(28(30)31)12(22)6-16(14)32-3;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;1-9(2,13)5-3-7(11)6(10)4-8(5)12;1-13-8(12)4-2-6(10)5(9)3-7(4)11;1-6-4-5-7(2)3;1-2-4-5-3-1;1-2-3(4)5;;;/h8,11-15,39H,1,9-10H2,2-7H3,(H,32,38)(H2,30,31,33,34,35);9-13,35H,7-8H2,1-6H3,(H2,27,28,29,30,31);9-13,35H,7-8,27H2,1-6H3,(H2,28,29,30,31,32);4-8,29H,1-3H3,(H2,23,24,25,26,27);2-4H,1H3,(H,13,14,15,16);3-4,13H,12H2,1-2H3;2-3H,11H2,1H3;6H,4-5H2,1-3H3;1-4H2;2H,1H2;1H3;1H;/q;;;;;;;;;;-1;;+2/p-1.
What are the key properties of magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide?
magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide has a molecular weight of 3198.87 g/mol, XLogP of 22.24, 50 rotatable bonds, 19 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;carbanide;2-[4-chloro-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;methyl 2-amino-4-chloro-5-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide is sourced from PubChem (CID 157073623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).