magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide

C149H192BBrCl5F9MgN36O24 — CID 159996338

IUPACmagnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide
SMILESC1CCOC1.C=CC(=O)Cl.CC(C)(O)c1cc(C2CC2)c(F)cc1N.CC(C)(O)c1cc(C2CC2)c(F)cc1Nc1ncnc(Cl)n1.CNCCN(C)C.CO.COC(=O)c1cc(C2CC2)c(F)cc1N.COC(=O)c1cc(Cl)c(F)cc1N.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1.Clc1ncnc(Cl)n1.OB(O)C1CC1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C27H35FN8O4.C27H37FN8O2.C22H22F2N6O4.C15H16ClFN4O.C12H16FNO.C11H12FNO2.C8H7ClFNO2.C7H7FN2O3.C5H14N2.C4H8O.C3H7BO2.C3HCl2N3.C3H3ClO.CH4O.CH3.BrH.Mg/c1-27(2,37)18-11-17(16-7-8-16)19(28)12-20(18)31-25-29-15-30-26(33-25)32-21-13-23(36(38)39)22(14-24(21)40-6)35(5)10-9-34(3)4;1-27(2,37)18-11-17(16-7-8-16)19(28)12-21(18)32-25-30-15-31-26(34-25)33-22-13-20(29)23(14-24(22)38-6)36(5)10-9-35(3)4;1-22(2,31)13-6-12(11-4-5-11)14(23)7-16(13)27-20-25-10-26-21(29-20)28-17-9-18(30(32)33)15(24)8-19(17)34-3;1-15(2,22)10-5-9(8-3-4-8)11(17)6-12(10)20-14-19-7-18-13(16)21-14;1-12(2,15)9-5-8(7-3-4-7)10(13)6-11(9)14;1-15-11(14)8-4-7(6-2-3-6)9(12)5-10(8)13;1-13-8(12)4-2-5(9)6(10)3-7(4)11;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-6-4-5-7(2)3;1-2-4-5-3-1;5-4(6)3-1-2-3;4-2-6-1-7-3(5)8-2;1-2-3(4)5;1-2;;;/h11-16,37H,7-10H2,1-6H3,(H2,29,30,31,32,33);11-16,37H,7-10,29H2,1-6H3,(H2,30,31,32,33,34);6-11,31H,4-5H2,1-3H3,(H2,25,26,27,28,29);5-8,22H,3-4H2,1-2H3,(H,18,19,20,21);5-7,15H,3-4,14H2,1-2H3;4-6H,2-3,13H2,1H3;2-3H,11H2,1H3;2-3H,9H2,1H3;6H,4-5H2,1-3H3;1-4H2;3,5-6H,1-2H2;1H;2H,1H2;2H,1H3;1H3;1H;/q;;;;;;;;;;;;;;-1;;+2/p-1
InChIKeyMJNACBFFLVNBQZ-UHFFFAOYSA-M
MW3334.67 g/mol
LogP23.62
Rot. Bonds47

About magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide

magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide (PubChem CID 159996338) has the molecular formula C149H192BBrCl5F9MgN36O24 and a molecular weight of 3334.67 g/mol. Its IUPAC name is magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide.

Molecular Properties

Compound Namemagnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide
PubChem CID159996338
Molecular FormulaC149H192BBrCl5F9MgN36O24
Molecular Weight3334.67 g/mol
Exact Mass3329.23
IUPAC Namemagnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide
SMILESC1CCOC1.C=CC(=O)Cl.CC(C)(O)c1cc(C2CC2)c(F)cc1N.CC(C)(O)c1cc(C2CC2)c(F)cc1Nc1ncnc(Cl)n1.CNCCN(C)C.CO.COC(=O)c1cc(C2CC2)c(F)cc1N.COC(=O)c1cc(Cl)c(F)cc1N.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1.Clc1ncnc(Cl)n1.OB(O)C1CC1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C27H35FN8O4.C27H37FN8O2.C22H22F2N6O4.C15H16ClFN4O.C12H16FNO.C11H12FNO2.C8H7ClFNO2.C7H7FN2O3.C5H14N2.C4H8O.C3H7BO2.C3HCl2N3.C3H3ClO.CH4O.CH3.BrH.Mg/c1-27(2,37)18-11-17(16-7-8-16)19(28)12-20(18)31-25-29-15-30-26(33-25)32-21-13-23(36(38)39)22(14-24(21)40-6)35(5)10-9-34(3)4;1-27(2,37)18-11-17(16-7-8-16)19(28)12-21(18)32-25-30-15-31-26(34-25)33-22-13-20(29)23(14-24(22)38-6)36(5)10-9-35(3)4;1-22(2,31)13-6-12(11-4-5-11)14(23)7-16(13)27-20-25-10-26-21(29-20)28-17-9-18(30(32)33)15(24)8-19(17)34-3;1-15(2,22)10-5-9(8-3-4-8)11(17)6-12(10)20-14-19-7-18-13(16)21-14;1-12(2,15)9-5-8(7-3-4-7)10(13)6-11(9)14;1-15-11(14)8-4-7(6-2-3-6)9(12)5-10(8)13;1-13-8(12)4-2-5(9)6(10)3-7(4)11;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-6-4-5-7(2)3;1-2-4-5-3-1;5-4(6)3-1-2-3;4-2-6-1-7-3(5)8-2;1-2-3(4)5;1-2;;;/h11-16,37H,7-10H2,1-6H3,(H2,29,30,31,32,33);11-16,37H,7-10,29H2,1-6H3,(H2,30,31,32,33,34);6-11,31H,4-5H2,1-3H3,(H2,25,26,27,28,29);5-8,22H,3-4H2,1-2H3,(H,18,19,20,21);5-7,15H,3-4,14H2,1-2H3;4-6H,2-3,13H2,1H3;2-3H,11H2,1H3;2-3H,9H2,1H3;6H,4-5H2,1-3H3;1-4H2;3,5-6H,1-2H2;1H;2H,1H2;2H,1H3;1H3;1H;/q;;;;;;;;;;;;;;-1;;+2/p-1
InChIKeyMJNACBFFLVNBQZ-UHFFFAOYSA-M
XLogP23.62
TPSA842.97 Ų
H-Bond Donors21
H-Bond Acceptors57
Rotatable Bonds47
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003334.67
LogP ≤ 523.62
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1057

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-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-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide?
The IUPAC name of magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide (CID 159996338) is magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide.
What is the SMILES notation for magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide?
The canonical SMILES for magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide is C1CCOC1.C=CC(=O)Cl.CC(C)(O)c1cc(C2CC2)c(F)cc1N.CC(C)(O)c1cc(C2CC2)c(F)cc1Nc1ncnc(Cl)n1.CNCCN(C)C.CO.COC(=O)c1cc(C2CC2)c(F)cc1N.COC(=O)c1cc(Cl)c(F)cc1N.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1.Clc1ncnc(Cl)n1.OB(O)C1CC1.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide?
The InChIKey is MJNACBFFLVNBQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H35FN8O4.C27H37FN8O2.C22H22F2N6O4.C15H16ClFN4O.C12H16FNO.C11H12FNO2.C8H7ClFNO2.C7H7FN2O3.C5H14N2.C4H8O.C3H7BO2.C3HCl2N3.C3H3ClO.CH4O.CH3.BrH.Mg/c1-27(2,37)18-11-17(16-7-8-16)19(28)12-20(18)31-25-29-15-30-26(33-25)32-21-13-23(36(38)39)22(14-24(21)40-6)35(5)10-9-34(3)4;1-27(2,37)18-11-17(16-7-8-16)19(28)12-21(18)32-25-30-15-31-26(34-25)33-22-13-20(29)23(14-24(22)38-6)36(5)10-9-35(3)4;1-22(2,31)13-6-12(11-4-5-11)14(23)7-16(13)27-20-25-10-26-21(29-20)28-17-9-18(30(32)33)15(24)8-19(17)34-3;1-15(2,22)10-5-9(8-3-4-8)11(17)6-12(10)20-14-19-7-18-13(16)21-14;1-12(2,15)9-5-8(7-3-4-7)10(13)6-11(9)14;1-15-11(14)8-4-7(6-2-3-6)9(12)5-10(8)13;1-13-8(12)4-2-5(9)6(10)3-7(4)11;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-6-4-5-7(2)3;1-2-4-5-3-1;5-4(6)3-1-2-3;4-2-6-1-7-3(5)8-2;1-2-3(4)5;1-2;;;/h11-16,37H,7-10H2,1-6H3,(H2,29,30,31,32,33);11-16,37H,7-10,29H2,1-6H3,(H2,30,31,32,33,34);6-11,31H,4-5H2,1-3H3,(H2,25,26,27,28,29);5-8,22H,3-4H2,1-2H3,(H,18,19,20,21);5-7,15H,3-4,14H2,1-2H3;4-6H,2-3,13H2,1H3;2-3H,11H2,1H3;2-3H,9H2,1H3;6H,4-5H2,1-3H3;1-4H2;3,5-6H,1-2H2;1H;2H,1H2;2H,1H3;1H3;1H;/q;;;;;;;;;;;;;;-1;;+2/p-1.
What are the key properties of magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide?
magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide has a molecular weight of 3334.67 g/mol, XLogP of 23.62, 47 rotatable bonds, 21 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(2-amino-5-cyclopropyl-4-fluorophenyl)propan-2-ol;2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;carbanide;2-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]-5-cyclopropyl-4-fluorophenyl]propan-2-ol;cyclopropylboronic acid;2-[5-cyclopropyl-2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-4-fluorophenyl]propan-2-ol;2-[5-cyclopropyl-4-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-fluoro-2-methoxy-5-nitroaniline;methanol;methyl 2-amino-5-chloro-4-fluorobenzoate;methyl 2-amino-5-cyclopropyl-4-fluorobenzoate;oxolane;prop-2-enoyl chloride;N,N',N'-trimethylethane-1,2-diamine;bromide is sourced from PubChem (CID 159996338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).