4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide

C194H209F7N48O26 — CID 159736459

IUPAC4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCC(=O)CCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3cc(F)cc(F)c3)cc2)n1.CC(=O)CCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccc(F)cc3F)cc2)n1.CC[C@@H](N)C(=O)NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1.C[C@@H](N)C(=O)NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1.O=C(NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1)c1ccccc1.O=C(NCc1ccccc1)c1ccc(Nc2nc(NCCOCCNC(=O)c3ccccc3C(F)(F)F)nc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C35H33F3N8O4.C34H34N8O4.2C32H35F2N7O5.C31H37N9O4.C30H35N9O4/c36-35(37,38)29-9-5-4-8-28(29)31(49)39-18-20-50-21-19-40-32-44-33(46-34(45-32)43-26-14-16-27(47)17-15-26)42-25-12-10-24(11-13-25)30(48)41-22-23-6-2-1-3-7-23;43-29-17-15-28(16-18-29)39-34-41-32(36-20-22-46-21-19-35-30(44)25-9-5-2-6-10-25)40-33(42-34)38-27-13-11-26(12-14-27)31(45)37-23-24-7-3-1-4-8-24;1-21(42)3-2-15-45-17-18-46-16-14-35-30-39-31(41-32(40-30)38-26-10-12-27(43)13-11-26)37-25-8-5-22(6-9-25)29(44)36-20-23-4-7-24(33)19-28(23)34;1-21(42)3-2-13-45-15-16-46-14-12-35-30-39-31(41-32(40-30)38-27-8-10-28(43)11-9-27)37-26-6-4-23(5-7-26)29(44)36-20-22-17-24(33)19-25(34)18-22;1-2-26(32)28(43)33-16-18-44-19-17-34-29-38-30(40-31(39-29)37-24-12-14-25(41)15-13-24)36-23-10-8-22(9-11-23)27(42)35-20-21-6-4-3-5-7-21;1-20(31)26(41)32-15-17-43-18-16-33-28-37-29(39-30(38-28)36-24-11-13-25(40)14-12-24)35-23-9-7-22(8-10-23)27(42)34-19-21-5-3-2-4-6-21/h1-17,47H,18-22H2,(H,39,49)(H,41,48)(H3,40,42,43,44,45,46);1-18,43H,19-23H2,(H,35,44)(H,37,45)(H3,36,38,39,40,41,42);4-13,19,43H,2-3,14-18,20H2,1H3,(H,36,44)(H3,35,37,38,39,40,41);4-11,17-19,43H,2-3,12-16,20H2,1H3,(H,36,44)(H3,35,37,38,39,40,41);3-15,26,41H,2,16-20,32H2,1H3,(H,33,43)(H,35,42)(H3,34,36,37,38,39,40);2-14,20,40H,15-19,31H2,1H3,(H,32,41)(H,34,42)(H3,33,35,36,37,38,39)/t;;;;26-;20-/m....11/s1
InChIKeyNBXCYBDFQYINOZ-AVGDJHILSA-N
MW3762.10 g/mol
LogP27.06
Rot. Bonds97

About 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide

4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 159736459) has the molecular formula C194H209F7N48O26 and a molecular weight of 3762.10 g/mol. Its IUPAC name is 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID159736459
Molecular FormulaC194H209F7N48O26
Molecular Weight3762.10 g/mol
Exact Mass3759.64
IUPAC Name4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCC(=O)CCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3cc(F)cc(F)c3)cc2)n1.CC(=O)CCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccc(F)cc3F)cc2)n1.CC[C@@H](N)C(=O)NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1.C[C@@H](N)C(=O)NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1.O=C(NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1)c1ccccc1.O=C(NCc1ccccc1)c1ccc(Nc2nc(NCCOCCNC(=O)c3ccccc3C(F)(F)F)nc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C35H33F3N8O4.C34H34N8O4.2C32H35F2N7O5.C31H37N9O4.C30H35N9O4/c36-35(37,38)29-9-5-4-8-28(29)31(49)39-18-20-50-21-19-40-32-44-33(46-34(45-32)43-26-14-16-27(47)17-15-26)42-25-12-10-24(11-13-25)30(48)41-22-23-6-2-1-3-7-23;43-29-17-15-28(16-18-29)39-34-41-32(36-20-22-46-21-19-35-30(44)25-9-5-2-6-10-25)40-33(42-34)38-27-13-11-26(12-14-27)31(45)37-23-24-7-3-1-4-8-24;1-21(42)3-2-15-45-17-18-46-16-14-35-30-39-31(41-32(40-30)38-26-10-12-27(43)13-11-26)37-25-8-5-22(6-9-25)29(44)36-20-23-4-7-24(33)19-28(23)34;1-21(42)3-2-13-45-15-16-46-14-12-35-30-39-31(41-32(40-30)38-27-8-10-28(43)11-9-27)37-26-6-4-23(5-7-26)29(44)36-20-22-17-24(33)19-25(34)18-22;1-2-26(32)28(43)33-16-18-44-19-17-34-29-38-30(40-31(39-29)37-24-12-14-25(41)15-13-24)36-23-10-8-22(9-11-23)27(42)35-20-21-6-4-3-5-7-21;1-20(31)26(41)32-15-17-43-18-16-33-28-37-29(39-30(38-28)36-24-11-13-25(40)14-12-24)35-23-9-7-22(8-10-23)27(42)34-19-21-5-3-2-4-6-21/h1-17,47H,18-22H2,(H,39,49)(H,41,48)(H3,40,42,43,44,45,46);1-18,43H,19-23H2,(H,35,44)(H,37,45)(H3,36,38,39,40,41,42);4-13,19,43H,2-3,14-18,20H2,1H3,(H,36,44)(H3,35,37,38,39,40,41);4-11,17-19,43H,2-3,12-16,20H2,1H3,(H,36,44)(H3,35,37,38,39,40,41);3-15,26,41H,2,16-20,32H2,1H3,(H,33,43)(H,35,42)(H3,34,36,37,38,39,40);2-14,20,40H,15-19,31H2,1H3,(H,32,41)(H,34,42)(H3,33,35,36,37,38,39)/t;;;;26-;20-/m....11/s1
InChIKeyNBXCYBDFQYINOZ-AVGDJHILSA-N
XLogP27.06
TPSA1020.96 Ų
H-Bond Donors36
H-Bond Acceptors64
Rotatable Bonds97
Heavy Atoms275
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003762.10
LogP ≤ 527.06
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide (CID 159736459) is 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide is CC(=O)CCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3cc(F)cc(F)c3)cc2)n1.CC(=O)CCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccc(F)cc3F)cc2)n1.CC[C@@H](N)C(=O)NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1.C[C@@H](N)C(=O)NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1.O=C(NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1)c1ccccc1.O=C(NCc1ccccc1)c1ccc(Nc2nc(NCCOCCNC(=O)c3ccccc3C(F)(F)F)nc(Nc3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is NBXCYBDFQYINOZ-AVGDJHILSA-N. The full InChI is InChI=1S/C35H33F3N8O4.C34H34N8O4.2C32H35F2N7O5.C31H37N9O4.C30H35N9O4/c36-35(37,38)29-9-5-4-8-28(29)31(49)39-18-20-50-21-19-40-32-44-33(46-34(45-32)43-26-14-16-27(47)17-15-26)42-25-12-10-24(11-13-25)30(48)41-22-23-6-2-1-3-7-23;43-29-17-15-28(16-18-29)39-34-41-32(36-20-22-46-21-19-35-30(44)25-9-5-2-6-10-25)40-33(42-34)38-27-13-11-26(12-14-27)31(45)37-23-24-7-3-1-4-8-24;1-21(42)3-2-15-45-17-18-46-16-14-35-30-39-31(41-32(40-30)38-26-10-12-27(43)13-11-26)37-25-8-5-22(6-9-25)29(44)36-20-23-4-7-24(33)19-28(23)34;1-21(42)3-2-13-45-15-16-46-14-12-35-30-39-31(41-32(40-30)38-27-8-10-28(43)11-9-27)37-26-6-4-23(5-7-26)29(44)36-20-22-17-24(33)19-25(34)18-22;1-2-26(32)28(43)33-16-18-44-19-17-34-29-38-30(40-31(39-29)37-24-12-14-25(41)15-13-24)36-23-10-8-22(9-11-23)27(42)35-20-21-6-4-3-5-7-21;1-20(31)26(41)32-15-17-43-18-16-33-28-37-29(39-30(38-28)36-24-11-13-25(40)14-12-24)35-23-9-7-22(8-10-23)27(42)34-19-21-5-3-2-4-6-21/h1-17,47H,18-22H2,(H,39,49)(H,41,48)(H3,40,42,43,44,45,46);1-18,43H,19-23H2,(H,35,44)(H,37,45)(H3,36,38,39,40,41,42);4-13,19,43H,2-3,14-18,20H2,1H3,(H,36,44)(H3,35,37,38,39,40,41);4-11,17-19,43H,2-3,12-16,20H2,1H3,(H,36,44)(H3,35,37,38,39,40,41);3-15,26,41H,2,16-20,32H2,1H3,(H,33,43)(H,35,42)(H3,34,36,37,38,39,40);2-14,20,40H,15-19,31H2,1H3,(H,32,41)(H,34,42)(H3,33,35,36,37,38,39)/t;;;;26-;20-/m....11/s1.
What are the key properties of 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide?
4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 3762.10 g/mol, XLogP of 27.06, 97 rotatable bonds, 36 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[2-[[(2R)-2-aminobutanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-[2-[[(2R)-2-aminopropanoyl]amino]ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;N-[2-[2-[[4-[4-(benzylcarbamoyl)anilino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethyl]-2-(trifluoromethyl)benzamide;N-[(2,4-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide;N-[(3,5-difluorophenyl)methyl]-4-[[4-(4-hydroxyanilino)-6-[2-[2-(4-oxopentoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 159736459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).