2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane

C157H176N34O4S6 — CID 159765692

IUPAC2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane
SMILESC.C=C(N)NCCc1cc(CCN=C(N)N)cc(-c2cnc(-c3cccc(-c4ncc(-c5cc(CCN=C(N)N)cc(CCN=C(N)N)c5)o4)c3)o2)c1.CCCc1cc(CCN)cc(-c2ccc(-c3cccc(-c4ccc(-c5cc(CCN)cc(CCN)c5)s4)c3)s2)c1.NC(N)=NCCc1cccc(-c2cnc(-c3cccc(-c4ncc(-c5cccc(CCN=C(N)N)c5)o4)c3)o2)c1.NCCc1cc(CCN)cc(-c2cnc(-c3cccc(-c4ncc(-c5cc(CCN)cc(CCN)c5)s4)c3)s2)c1.NCCc1cc(CCN)cc(-c2cnc(-c3cccc(-c4nccs4)c3)s2)c1
InChIInChI=1S/C37H45N13O2.C35H39N3S2.C32H36N6S2.C30H30N8O2.C22H22N4S2.CH4/c1-22(38)45-9-5-23-13-24(6-10-46-35(39)40)16-29(15-23)31-20-49-33(51-31)27-3-2-4-28(19-27)34-50-21-32(52-34)30-17-25(7-11-47-36(41)42)14-26(18-30)8-12-48-37(43)44;1-2-4-24-17-25(11-14-36)20-30(19-24)34-9-7-32(39-34)28-5-3-6-29(23-28)33-8-10-35(40-33)31-21-26(12-15-37)18-27(22-31)13-16-38;33-8-4-21-12-22(5-9-34)15-27(14-21)29-19-37-31(39-29)25-2-1-3-26(18-25)32-38-20-30(40-32)28-16-23(6-10-35)13-24(17-28)7-11-36;31-29(32)35-12-10-19-4-1-6-21(14-19)25-17-37-27(39-25)23-8-3-9-24(16-23)28-38-18-26(40-28)22-7-2-5-20(15-22)11-13-36-30(33)34;23-6-4-15-10-16(5-7-24)12-19(11-15)20-14-26-22(28-20)18-3-1-2-17(13-18)21-25-8-9-27-21;/h2-4,13-21,45H,1,5-12,38H2,(H4,39,40,46)(H4,41,42,47)(H4,43,44,48);3,5-10,17-23H,2,4,11-16,36-38H2,1H3;1-3,12-20H,4-11,33-36H2;1-9,14-18H,10-13H2,(H4,31,32,35)(H4,33,34,36);1-3,8-14H,4-7,23-24H2;1H4
InChIKeyNFLSPJDYJGILLK-UHFFFAOYSA-N
MW2795.77 g/mol
LogP24.75
Rot. Bonds58

About 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane

2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane (PubChem CID 159765692) has the molecular formula C157H176N34O4S6 and a molecular weight of 2795.77 g/mol. Its IUPAC name is 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane.

Molecular Properties

Compound Name2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane
PubChem CID159765692
Molecular FormulaC157H176N34O4S6
Molecular Weight2795.77 g/mol
Exact Mass2793.29
IUPAC Name2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane
SMILESC.C=C(N)NCCc1cc(CCN=C(N)N)cc(-c2cnc(-c3cccc(-c4ncc(-c5cc(CCN=C(N)N)cc(CCN=C(N)N)c5)o4)c3)o2)c1.CCCc1cc(CCN)cc(-c2ccc(-c3cccc(-c4ccc(-c5cc(CCN)cc(CCN)c5)s4)c3)s2)c1.NC(N)=NCCc1cccc(-c2cnc(-c3cccc(-c4ncc(-c5cccc(CCN=C(N)N)c5)o4)c3)o2)c1.NCCc1cc(CCN)cc(-c2cnc(-c3cccc(-c4ncc(-c5cc(CCN)cc(CCN)c5)s4)c3)s2)c1.NCCc1cc(CCN)cc(-c2cnc(-c3cccc(-c4nccs4)c3)s2)c1
InChIInChI=1S/C37H45N13O2.C35H39N3S2.C32H36N6S2.C30H30N8O2.C22H22N4S2.CH4/c1-22(38)45-9-5-23-13-24(6-10-46-35(39)40)16-29(15-23)31-20-49-33(51-31)27-3-2-4-28(19-27)34-50-21-32(52-34)30-17-25(7-11-47-36(41)42)14-26(18-30)8-12-48-37(43)44;1-2-4-24-17-25(11-14-36)20-30(19-24)34-9-7-32(39-34)28-5-3-6-29(23-28)33-8-10-35(40-33)31-21-26(12-15-37)18-27(22-31)13-16-38;33-8-4-21-12-22(5-9-34)15-27(14-21)29-19-37-31(39-29)25-2-1-3-26(18-25)32-38-20-30(40-32)28-16-23(6-10-35)13-24(17-28)7-11-36;31-29(32)35-12-10-19-4-1-6-21(14-19)25-17-37-27(39-25)23-8-3-9-24(16-23)28-38-18-26(40-28)22-7-2-5-20(15-22)11-13-36-30(33)34;23-6-4-15-10-16(5-7-24)12-19(11-15)20-14-26-22(28-20)18-3-1-2-17(13-18)21-25-8-9-27-21;/h2-4,13-21,45H,1,5-12,38H2,(H4,39,40,46)(H4,41,42,47)(H4,43,44,48);3,5-10,17-23H,2,4,11-16,36-38H2,1H3;1-3,12-20H,4-11,33-36H2;1-9,14-18H,10-13H2,(H4,31,32,35)(H4,33,34,36);1-3,8-14H,4-7,23-24H2;1H4
InChIKeyNFLSPJDYJGILLK-UHFFFAOYSA-N
XLogP24.75
TPSA749.91 Ų
H-Bond Donors21
H-Bond Acceptors34
Rotatable Bonds58
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002795.77
LogP ≤ 524.75
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane with MolForge

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Launch Full Analysis

Related Compounds

[3-[5-[(1S)-1-amino-2-phenylethyl]-1,3-oxazol-2-yl]-5-(1,3-oxazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 144369583
2-[3-(1,3-Benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;1,3-bis(3-phenylphenyl)benzene;3,5-bis(3-phenylphenyl)pyridine
CID 157749837
2-[3-[2-[3-[5-[3-(2-Aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine
CID 158159936
Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
CID 158250924
2-[3-(2-Aminoethyl)-5-[2-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine
CID 159784854

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane?
The IUPAC name of 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane (CID 159765692) is 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane.
What is the SMILES notation for 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane?
The canonical SMILES for 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane is C.C=C(N)NCCc1cc(CCN=C(N)N)cc(-c2cnc(-c3cccc(-c4ncc(-c5cc(CCN=C(N)N)cc(CCN=C(N)N)c5)o4)c3)o2)c1.CCCc1cc(CCN)cc(-c2ccc(-c3cccc(-c4ccc(-c5cc(CCN)cc(CCN)c5)s4)c3)s2)c1.NC(N)=NCCc1cccc(-c2cnc(-c3cccc(-c4ncc(-c5cccc(CCN=C(N)N)c5)o4)c3)o2)c1.NCCc1cc(CCN)cc(-c2cnc(-c3cccc(-c4ncc(-c5cc(CCN)cc(CCN)c5)s4)c3)s2)c1.NCCc1cc(CCN)cc(-c2cnc(-c3cccc(-c4nccs4)c3)s2)c1.
What is the InChIKey of 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane?
The InChIKey is NFLSPJDYJGILLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N13O2.C35H39N3S2.C32H36N6S2.C30H30N8O2.C22H22N4S2.CH4/c1-22(38)45-9-5-23-13-24(6-10-46-35(39)40)16-29(15-23)31-20-49-33(51-31)27-3-2-4-28(19-27)34-50-21-32(52-34)30-17-25(7-11-47-36(41)42)14-26(18-30)8-12-48-37(43)44;1-2-4-24-17-25(11-14-36)20-30(19-24)34-9-7-32(39-34)28-5-3-6-29(23-28)33-8-10-35(40-33)31-21-26(12-15-37)18-27(22-31)13-16-38;33-8-4-21-12-22(5-9-34)15-27(14-21)29-19-37-31(39-29)25-2-1-3-26(18-25)32-38-20-30(40-32)28-16-23(6-10-35)13-24(17-28)7-11-36;31-29(32)35-12-10-19-4-1-6-21(14-19)25-17-37-27(39-25)23-8-3-9-24(16-23)28-38-18-26(40-28)22-7-2-5-20(15-22)11-13-36-30(33)34;23-6-4-15-10-16(5-7-24)12-19(11-15)20-14-26-22(28-20)18-3-1-2-17(13-18)21-25-8-9-27-21;/h2-4,13-21,45H,1,5-12,38H2,(H4,39,40,46)(H4,41,42,47)(H4,43,44,48);3,5-10,17-23H,2,4,11-16,36-38H2,1H3;1-3,12-20H,4-11,33-36H2;1-9,14-18H,10-13H2,(H4,31,32,35)(H4,33,34,36);1-3,8-14H,4-7,23-24H2;1H4.
What are the key properties of 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane?
2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane has a molecular weight of 2795.77 g/mol, XLogP of 24.75, 58 rotatable bonds, 21 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[5-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;2-[3-(2-aminoethyl)-5-[5-[3-[5-[3-(2-aminoethyl)-5-propylphenyl]thiophen-2-yl]phenyl]thiophen-2-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-[5-[3,5-bis(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[3-(2-aminoethyl)-5-[2-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethyl]guanidine;methane is sourced from PubChem (CID 159765692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).