benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C154H179F3N40O15 — CID 158742896

IUPACbenzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCCNC(=O)c1cccc(Nc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cc2)c1.Cc1nc(Nc2ccc(Nc3ccc(C(C)O)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)Nc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)OCc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)c(C(F)(F)F)c2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)cc2C)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C30H32N6O4.C29H31N7O3.C25H32N8O2.C24H31N7O2.C23H25F3N6O2.C23H28N6O2/c1-22-31-29(34-30(32-22)36-16-14-35(15-17-36)18-19-37)33-25-10-12-26(13-11-25)40-27-9-5-8-24(20-27)28(38)39-21-23-6-3-2-4-7-23;1-21-30-28(34-29(31-21)36-16-14-35(15-17-36)18-19-37)33-24-10-12-25(13-11-24)39-26-9-5-6-22(20-26)27(38)32-23-7-3-2-4-8-23;1-3-26-23(35)19-5-4-6-22(17-19)29-20-7-9-21(10-8-20)30-24-27-18(2)28-25(31-24)33-13-11-32(12-14-33)15-16-34;1-17(33)19-3-5-20(6-4-19)27-21-7-9-22(10-8-21)28-23-25-18(2)26-24(29-23)31-13-11-30(12-14-31)15-16-32;1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-17-7-8-20(19(15-17)23(24,25)26)34-18-5-3-2-4-6-18;1-17-16-20(31-19-6-4-3-5-7-19)8-9-21(17)26-22-24-18(2)25-23(27-22)29-12-10-28(11-13-29)14-15-30/h2-13,20,37H,14-19,21H2,1H3,(H,31,32,33,34);2-13,20,37H,14-19H2,1H3,(H,32,38)(H,30,31,33,34);4-10,17,29,34H,3,11-16H2,1-2H3,(H,26,35)(H,27,28,30,31);3-10,17,27,32-33H,11-16H2,1-2H3,(H,25,26,28,29);2-8,15,33H,9-14H2,1H3,(H,27,28,29,30);3-9,16,30H,10-15H2,1-2H3,(H,24,25,26,27)
InChIKeyIMNDSTQADNUZGY-UHFFFAOYSA-N
MW2887.38 g/mol
LogP20.62
Rot. Bonds50

About benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 158742896) has the molecular formula C154H179F3N40O15 and a molecular weight of 2887.38 g/mol. Its IUPAC name is benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Namebenzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID158742896
Molecular FormulaC154H179F3N40O15
Molecular Weight2887.38 g/mol
Exact Mass2885.44
IUPAC Namebenzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCCNC(=O)c1cccc(Nc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cc2)c1.Cc1nc(Nc2ccc(Nc3ccc(C(C)O)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)Nc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)OCc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)c(C(F)(F)F)c2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)cc2C)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C30H32N6O4.C29H31N7O3.C25H32N8O2.C24H31N7O2.C23H25F3N6O2.C23H28N6O2/c1-22-31-29(34-30(32-22)36-16-14-35(15-17-36)18-19-37)33-25-10-12-26(13-11-25)40-27-9-5-8-24(20-27)28(38)39-21-23-6-3-2-4-7-23;1-21-30-28(34-29(31-21)36-16-14-35(15-17-36)18-19-37)33-24-10-12-25(13-11-24)39-26-9-5-6-22(20-26)27(38)32-23-7-3-2-4-8-23;1-3-26-23(35)19-5-4-6-22(17-19)29-20-7-9-21(10-8-20)30-24-27-18(2)28-25(31-24)33-13-11-32(12-14-33)15-16-34;1-17(33)19-3-5-20(6-4-19)27-21-7-9-22(10-8-21)28-23-25-18(2)26-24(29-23)31-13-11-30(12-14-31)15-16-32;1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-17-7-8-20(19(15-17)23(24,25)26)34-18-5-3-2-4-6-18;1-17-16-20(31-19-6-4-3-5-7-19)8-9-21(17)26-22-24-18(2)25-23(27-22)29-12-10-28(11-13-29)14-15-30/h2-13,20,37H,14-19,21H2,1H3,(H,31,32,33,34);2-13,20,37H,14-19H2,1H3,(H,32,38)(H,30,31,33,34);4-10,17,29,34H,3,11-16H2,1-2H3,(H,26,35)(H,27,28,30,31);3-10,17,27,32-33H,11-16H2,1-2H3,(H,25,26,28,29);2-8,15,33H,9-14H2,1H3,(H,27,28,29,30);3-9,16,30H,10-15H2,1-2H3,(H,24,25,26,27)
InChIKeyIMNDSTQADNUZGY-UHFFFAOYSA-N
XLogP20.62
TPSA630.17 Ų
H-Bond Donors17
H-Bond Acceptors53
Rotatable Bonds50
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002887.38
LogP ≤ 520.62
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1053

Analyze benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[4-[[4-[4-(2-Hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 123202544
benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide
CID 157540614
2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide
CID 158774056
ethyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide
CID 161729675
2-[4-[4-[4-(4-aminophenoxy)anilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-[4-[3-[dimethylamino(hydroxy)methyl]phenoxy]anilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-[4-(4-fluorophenoxy)anilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-methylbenzamide;2-[4-[4-[4-[3-[hydroxy(methylamino)methyl]phenoxy]anilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-[4-(3-methoxyphenoxy)anilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 157124831
N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide
CID 159850613
N-benzyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-7-carboxamide;4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxylic acid;1-[4-(dimethylamino)-2-(2-methoxyphenyl)quinazolin-6-yl]butan-1-ol;2-[4-(dimethylamino)-6-propan-2-yloxyquinazolin-2-yl]phenol;7-fluoro-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine
CID 161587363
CID 161811060
CID 161811060

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 158742896) is benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is CCNC(=O)c1cccc(Nc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cc2)c1.Cc1nc(Nc2ccc(Nc3ccc(C(C)O)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)Nc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)OCc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)c(C(F)(F)F)c2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)cc2C)nc(N2CCN(CCO)CC2)n1.
What is the InChIKey of benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is IMNDSTQADNUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4.C29H31N7O3.C25H32N8O2.C24H31N7O2.C23H25F3N6O2.C23H28N6O2/c1-22-31-29(34-30(32-22)36-16-14-35(15-17-36)18-19-37)33-25-10-12-26(13-11-25)40-27-9-5-8-24(20-27)28(38)39-21-23-6-3-2-4-7-23;1-21-30-28(34-29(31-21)36-16-14-35(15-17-36)18-19-37)33-24-10-12-25(13-11-24)39-26-9-5-6-22(20-26)27(38)32-23-7-3-2-4-8-23;1-3-26-23(35)19-5-4-6-22(17-19)29-20-7-9-21(10-8-20)30-24-27-18(2)28-25(31-24)33-13-11-32(12-14-33)15-16-34;1-17(33)19-3-5-20(6-4-19)27-21-7-9-22(10-8-21)28-23-25-18(2)26-24(29-23)31-13-11-30(12-14-31)15-16-32;1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-17-7-8-20(19(15-17)23(24,25)26)34-18-5-3-2-4-6-18;1-17-16-20(31-19-6-4-3-5-7-19)8-9-21(17)26-22-24-18(2)25-23(27-22)29-12-10-28(11-13-29)14-15-30/h2-13,20,37H,14-19,21H2,1H3,(H,31,32,33,34);2-13,20,37H,14-19H2,1H3,(H,32,38)(H,30,31,33,34);4-10,17,29,34H,3,11-16H2,1-2H3,(H,26,35)(H,27,28,30,31);3-10,17,27,32-33H,11-16H2,1-2H3,(H,25,26,28,29);2-8,15,33H,9-14H2,1H3,(H,27,28,29,30);3-9,16,30H,10-15H2,1-2H3,(H,24,25,26,27).
What are the key properties of benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 2887.38 g/mol, XLogP of 20.62, 50 rotatable bonds, 17 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 158742896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).