7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione

C239H234N49O41+3 — CID 157499739

IUPAC7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
SMILESCC12CC3CC(C)(C1)CC(NCn1c4c(n[n+]1[O-])C(=O)c1ccccc1C4=O)(C3)C2.CN1CCN(c2ccc(Cn3c4c(n[n+]3[O-])C(=O)c3c(NCCCN)cccc3C4=O)cc2)CC1.COc1cc(-c2ccc(C)cc2)ccc1CC[n+]1c2c(nn1C)C(=O)c1ncccc1C2=O.COc1cc(CCCN2CCOCC2)ccc1-c1ccc(CCn2c3c(n[n+]2[O-])C(=O)c2cc(CCCCCCN)c([N+](=O)[O-])cc2C3=O)cc1.Cc1ccc(-c2ccc(Cn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)cc1.Cn1nc2c([n+]1C)C(=O)c1c(O)ccc(O)c1C2=O.Cn1nc2c([n+]1CCN1CCC3(CCCO3)CC1)C(=O)c1cc([N+](=O)[O-])ccc1C2=O.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CN1CC2CC1CN2Cc1ccccc1.O=C1c2cccnc2C(=O)c2c1n[n+]([O-])n2Cc1ccc(N2CCN(Cc3ccco3)CC2)cc1.O=c1ccc(=O)c2c(=O)c3c([nH]n(O)n3CN3CCN(c4nc5ccccc5o4)CC3)c(=O)c12
InChIInChI=1S/C38H44N6O7.C26H23N4O3.C25H29N7O3.C25H22N6O4.C24H17N3O3.C23H21N5O3.C23H26N4O3.C22H18N6O6.C21H24N5O5.C12H9N3O4/c1-50-34-23-27(7-6-17-41-19-21-51-22-20-41)11-14-30(34)28-12-9-26(10-13-28)15-18-42-36-35(40-44(42)49)37(45)31-24-29(8-4-2-3-5-16-39)33(43(47)48)25-32(31)38(36)46;1-16-6-8-17(9-7-16)19-11-10-18(21(15-19)33-3)12-14-30-24-23(28-29(30)2)26(32)22-20(25(24)31)5-4-13-27-22;1-29-12-14-30(15-13-29)18-8-6-17(7-9-18)16-31-23-22(28-32(31)35)25(34)21-19(24(23)33)4-2-5-20(21)27-11-3-10-26;32-24-20-4-1-9-26-21(20)25(33)23-22(24)27-31(34)30(23)15-17-5-7-18(8-6-17)29-12-10-28(11-13-29)16-19-3-2-14-35-19;1-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-26-22-21(25-27(26)30)23(28)19-4-2-3-5-20(19)24(22)29;29-22-18-8-4-5-9-19(18)23(30)21-20(22)24-28(31)27(21)14-26-13-16-10-17(26)12-25(16)11-15-6-2-1-3-7-15;1-21-7-14-8-22(2,10-21)12-23(9-14,11-21)24-13-26-18-17(25-27(26)30)19(28)15-5-3-4-6-16(15)20(18)29;29-13-5-6-14(30)17-16(13)20(31)18-19(21(17)32)27(28(33)24-18)11-25-7-9-26(10-8-25)22-23-12-3-1-2-4-15(12)34-22;1-23-22-17-18(20(28)16-13-14(26(29)30)3-4-15(16)19(17)27)25(23)11-10-24-8-6-21(7-9-24)5-2-12-31-21;1-14-10-9(13-15(14)2)11(18)7-5(16)3-4-6(17)8(7)12(10)19/h9-14,23-25H,2-8,15-22,39H2,1H3;4-11,13,15H,12,14H2,1-3H3;2,4-9,27H,3,10-16,26H2,1H3;1-9,14H,10-13,15-16H2;2-13H,14H2,1H3;1-9,16-17H,10-14H2;3-6,14,24H,7-13H2,1-2H3;1-6,24,33H,7-11H2;3-4,13H,2,5-12H2,1H3;3-4H,1-2H3,(H,13,19)/q;+1;;;;;;;+1;/p+1
InChIKeyHXSOOAMYSPXCEL-UHFFFAOYSA-O
MW4448.80 g/mol
LogP17.59
Rot. Bonds50

About 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione

7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione (PubChem CID 157499739) has the molecular formula C239H234N49O41+3 and a molecular weight of 4448.80 g/mol. Its IUPAC name is 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione.

Molecular Properties

Compound Name7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
PubChem CID157499739
Molecular FormulaC239H234N49O41+3
Molecular Weight4448.80 g/mol
Exact Mass4445.77
IUPAC Name7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
SMILESCC12CC3CC(C)(C1)CC(NCn1c4c(n[n+]1[O-])C(=O)c1ccccc1C4=O)(C3)C2.CN1CCN(c2ccc(Cn3c4c(n[n+]3[O-])C(=O)c3c(NCCCN)cccc3C4=O)cc2)CC1.COc1cc(-c2ccc(C)cc2)ccc1CC[n+]1c2c(nn1C)C(=O)c1ncccc1C2=O.COc1cc(CCCN2CCOCC2)ccc1-c1ccc(CCn2c3c(n[n+]2[O-])C(=O)c2cc(CCCCCCN)c([N+](=O)[O-])cc2C3=O)cc1.Cc1ccc(-c2ccc(Cn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)cc1.Cn1nc2c([n+]1C)C(=O)c1c(O)ccc(O)c1C2=O.Cn1nc2c([n+]1CCN1CCC3(CCCO3)CC1)C(=O)c1cc([N+](=O)[O-])ccc1C2=O.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CN1CC2CC1CN2Cc1ccccc1.O=C1c2cccnc2C(=O)c2c1n[n+]([O-])n2Cc1ccc(N2CCN(Cc3ccco3)CC2)cc1.O=c1ccc(=O)c2c(=O)c3c([nH]n(O)n3CN3CCN(c4nc5ccccc5o4)CC3)c(=O)c12
InChIInChI=1S/C38H44N6O7.C26H23N4O3.C25H29N7O3.C25H22N6O4.C24H17N3O3.C23H21N5O3.C23H26N4O3.C22H18N6O6.C21H24N5O5.C12H9N3O4/c1-50-34-23-27(7-6-17-41-19-21-51-22-20-41)11-14-30(34)28-12-9-26(10-13-28)15-18-42-36-35(40-44(42)49)37(45)31-24-29(8-4-2-3-5-16-39)33(43(47)48)25-32(31)38(36)46;1-16-6-8-17(9-7-16)19-11-10-18(21(15-19)33-3)12-14-30-24-23(28-29(30)2)26(32)22-20(25(24)31)5-4-13-27-22;1-29-12-14-30(15-13-29)18-8-6-17(7-9-18)16-31-23-22(28-32(31)35)25(34)21-19(24(23)33)4-2-5-20(21)27-11-3-10-26;32-24-20-4-1-9-26-21(20)25(33)23-22(24)27-31(34)30(23)15-17-5-7-18(8-6-17)29-12-10-28(11-13-29)16-19-3-2-14-35-19;1-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-26-22-21(25-27(26)30)23(28)19-4-2-3-5-20(19)24(22)29;29-22-18-8-4-5-9-19(18)23(30)21-20(22)24-28(31)27(21)14-26-13-16-10-17(26)12-25(16)11-15-6-2-1-3-7-15;1-21-7-14-8-22(2,10-21)12-23(9-14,11-21)24-13-26-18-17(25-27(26)30)19(28)15-5-3-4-6-16(15)20(18)29;29-13-5-6-14(30)17-16(13)20(31)18-19(21(17)32)27(28(33)24-18)11-25-7-9-26(10-8-25)22-23-12-3-1-2-4-15(12)34-22;1-23-22-17-18(20(28)16-13-14(26(29)30)3-4-15(16)19(17)27)25(23)11-10-24-8-6-21(7-9-24)5-2-12-31-21;1-14-10-9(13-15(14)2)11(18)7-5(16)3-4-6(17)8(7)12(10)19/h9-14,23-25H,2-8,15-22,39H2,1H3;4-11,13,15H,12,14H2,1-3H3;2,4-9,27H,3,10-16,26H2,1H3;1-9,14H,10-13,15-16H2;2-13H,14H2,1H3;1-9,16-17H,10-14H2;3-6,14,24H,7-13H2,1-2H3;1-6,24,33H,7-11H2;3-4,13H,2,5-12H2,1H3;3-4H,1-2H3,(H,13,19)/q;+1;;;;;;;+1;/p+1
InChIKeyHXSOOAMYSPXCEL-UHFFFAOYSA-O
XLogP17.59
TPSA1092.19 Ų
H-Bond Donors8
H-Bond Acceptors78
Rotatable Bonds50
Heavy Atoms329
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004448.80
LogP ≤ 517.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1078

Analyze 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione with MolForge

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Related Compounds

3-[2-[[4-(1-adamantyl)piperazin-1-yl]amino]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(2,3-dihydro-1-benzofuran-6-yl)piperazin-1-yl]-3-oxopropyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-oxido-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzo[f]benzotriazol-2-ium-4,9-dione
CID 158517530
3-[3-(7-azaspiro[4.5]decan-8-yl)propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;1-[3-[4-(1-benzofuran-6-yl)pyrazin-1-yl]propyl]-6-hydroxy-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-[4-[[2-(4-chlorophenyl)-5-morpholin-4-ylsulfonylphenyl]methyl]piperazin-1-yl]phenyl]propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;6-[5-(dimethylamino)-2-phenylsulfanylpentyl]-2-oxido-1-[3-(5-pyridin-2-ylpiperidin-2-yl)propyl]benzo[f]benzotriazol-2-ium-4,9-dione;3-[3-(5,5-dimethyl-1,3-dioxan-2-yl)propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;8-[3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-2-oxido-4,9-dioxobenzo[f]benzotriazol-2-ium-7-yl]octanimidamide;3-[3-[4-[4-[2-(4-methylphenyl)phenyl]sulfonylpiperazin-1-yl]phenyl]propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-(1-oxa-8-azaspiro[4.5]decan-8-yl)propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 158587701
3-[3-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 25196297
3-[3-(7-azaspiro[4.5]decan-8-yl)propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-(4-benzylpiperidin-1-yl)propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-(5,5-dimethyl-4,6-dihydro-1,3-oxazin-2-yl)propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-(5,5-dimethylpiperidin-2-yl)propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[3-[4-(2-methoxy-4-methylphenyl)piperazin-1-yl]propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;2-methylpropyl 4-[3-(2-oxido-4,9-dioxobenzo[f]benzotriazol-2-ium-3-yl)propyl]piperazine-1-carboxylate;2-methylpropyl 6-[4-[3-(2-oxido-4,9-dioxobenzo[f]benzotriazol-2-ium-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxylate;3-[3-(1-oxa-8-azaspiro[4.5]decan-8-yl)propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 165041469
3-[[4-[5-(2-morpholin-4-ylethyl)quinolin-8-yl]phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 25197084
3-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 71030269
5-[3-[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[5-(diethylamino)pentyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(diethylamino)propyl-ethylamino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;(3R)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[4-[3-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(pyrrolidin-3-ylmethyl)acetamide;4-[3-[4-[3-(2-phenylethyl)phenyl]pyrimidin-2-yl]propyl]morpholine;4-[3-[4-[4-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyrazin-2-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(2-pyridin-3-ylethyl)phenyl]pyrimidin-2-yl]propyl]phenol
CID 158906623
N-[4-[[(2R)-6-amino-1-phenylsulfanylhexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]benzamide
CID 11607405
1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid;N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide;2-[(2R)-butan-2-yl]-4-[4-[4-[4-[[(2S,4R)-2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoic acid;2-[(3R,5S)-5-[6-(2,4-dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid;S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate;2-heptadecyl-6-methyl-3,1-benzoxazin-4-one;N-(7-hydroxy-2,2,4,6-tetramethyl-1,3-dihydroinden-1-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide;2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide
CID 161298303
4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-indol-4-yloxy)-N-[3-nitro-4-(3-pyrrolidin-1-ylpropylamino)phenyl]sulfonylbenzamide
CID 67226422
4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione
CID 158931388
3-(benzylamino)-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;1-benzyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-(2-methoxy-5-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide
CID 158724770

Frequently Asked Questions

What is the IUPAC name of 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione?
The IUPAC name of 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione (CID 157499739) is 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione.
What is the SMILES notation for 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione?
The canonical SMILES for 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione is CC12CC3CC(C)(C1)CC(NCn1c4c(n[n+]1[O-])C(=O)c1ccccc1C4=O)(C3)C2.CN1CCN(c2ccc(Cn3c4c(n[n+]3[O-])C(=O)c3c(NCCCN)cccc3C4=O)cc2)CC1.COc1cc(-c2ccc(C)cc2)ccc1CC[n+]1c2c(nn1C)C(=O)c1ncccc1C2=O.COc1cc(CCCN2CCOCC2)ccc1-c1ccc(CCn2c3c(n[n+]2[O-])C(=O)c2cc(CCCCCCN)c([N+](=O)[O-])cc2C3=O)cc1.Cc1ccc(-c2ccc(Cn3c4c(n[n+]3[O-])C(=O)c3ccccc3C4=O)cc2)cc1.Cn1nc2c([n+]1C)C(=O)c1c(O)ccc(O)c1C2=O.Cn1nc2c([n+]1CCN1CCC3(CCCO3)CC1)C(=O)c1cc([N+](=O)[O-])ccc1C2=O.O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CN1CC2CC1CN2Cc1ccccc1.O=C1c2cccnc2C(=O)c2c1n[n+]([O-])n2Cc1ccc(N2CCN(Cc3ccco3)CC2)cc1.O=c1ccc(=O)c2c(=O)c3c([nH]n(O)n3CN3CCN(c4nc5ccccc5o4)CC3)c(=O)c12.
What is the InChIKey of 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione?
The InChIKey is HXSOOAMYSPXCEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C38H44N6O7.C26H23N4O3.C25H29N7O3.C25H22N6O4.C24H17N3O3.C23H21N5O3.C23H26N4O3.C22H18N6O6.C21H24N5O5.C12H9N3O4/c1-50-34-23-27(7-6-17-41-19-21-51-22-20-41)11-14-30(34)28-12-9-26(10-13-28)15-18-42-36-35(40-44(42)49)37(45)31-24-29(8-4-2-3-5-16-39)33(43(47)48)25-32(31)38(36)46;1-16-6-8-17(9-7-16)19-11-10-18(21(15-19)33-3)12-14-30-24-23(28-29(30)2)26(32)22-20(25(24)31)5-4-13-27-22;1-29-12-14-30(15-13-29)18-8-6-17(7-9-18)16-31-23-22(28-32(31)35)25(34)21-19(24(23)33)4-2-5-20(21)27-11-3-10-26;32-24-20-4-1-9-26-21(20)25(33)23-22(24)27-31(34)30(23)15-17-5-7-18(8-6-17)29-12-10-28(11-13-29)16-19-3-2-14-35-19;1-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-26-22-21(25-27(26)30)23(28)19-4-2-3-5-20(19)24(22)29;29-22-18-8-4-5-9-19(18)23(30)21-20(22)24-28(31)27(21)14-26-13-16-10-17(26)12-25(16)11-15-6-2-1-3-7-15;1-21-7-14-8-22(2,10-21)12-23(9-14,11-21)24-13-26-18-17(25-27(26)30)19(28)15-5-3-4-6-16(15)20(18)29;29-13-5-6-14(30)17-16(13)20(31)18-19(21(17)32)27(28(33)24-18)11-25-7-9-26(10-8-25)22-23-12-3-1-2-4-15(12)34-22;1-23-22-17-18(20(28)16-13-14(26(29)30)3-4-15(16)19(17)27)25(23)11-10-24-8-6-21(7-9-24)5-2-12-31-21;1-14-10-9(13-15(14)2)11(18)7-5(16)3-4-6(17)8(7)12(10)19/h9-14,23-25H,2-8,15-22,39H2,1H3;4-11,13,15H,12,14H2,1-3H3;2,4-9,27H,3,10-16,26H2,1H3;1-9,14H,10-13,15-16H2;2-13H,14H2,1H3;1-9,16-17H,10-14H2;3-6,14,24H,7-13H2,1-2H3;1-6,24,33H,7-11H2;3-4,13H,2,5-12H2,1H3;3-4H,1-2H3,(H,13,19)/q;+1;;;;;;;+1;/p+1.
What are the key properties of 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione?
7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione has a molecular weight of 4448.80 g/mol, XLogP of 17.59, 50 rotatable bonds, 8 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-aminohexyl)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-2-hydroxy-1H-benzo[f]benzotriazole-4,5,8,9-tetrone;3-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;5,8-dihydroxy-2,3-dimethylbenzo[f]benzotriazol-3-ium-4,9-dione;3-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione;3-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione;1-[2-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-methyltriazolo[4,5-g]quinolin-1-ium-4,9-dione;2-methyl-6-nitro-3-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione;3-[[4-(4-methylphenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione is sourced from PubChem (CID 157499739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).