2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide

C127H129Cl8F3N28O9S2 — CID 161124437

IUPAC2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1.Cc1cc(CCC(=O)CC(=O)CCc2ccc(-c3nc(N=C(N)N)nc4ccc(Cl)cc34)c(C(F)(F)F)c2)ccc1-c1nc(N=C(N)N)nc2ccc(Cl)cc12.NC(N)=Nc1nc(-c2cccc(N3CCN(CCc4ccc(CCN5CCN(c6cccc(-c7nc(N=C(N)N)nc8ccc(Cl)cc78)c6)CC5)cc4)CC3)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C48H50Cl2N14.C40H46Cl4N4O7S2.C39H33Cl2F3N10O2/c49-35-11-13-41-39(29-35)43(57-47(55-41)59-45(51)52)33-3-1-5-37(27-33)63-23-19-61(20-24-63)17-15-31-7-9-32(10-8-31)16-18-62-21-25-64(26-22-62)38-6-2-4-34(28-38)44-40-30-36(50)12-14-42(40)56-48(58-44)60-46(53)54;1-47-23-35(33-19-29(41)21-39(43)37(33)25-47)27-3-7-31(8-4-27)56(49,50)45-11-13-53-15-17-55-18-16-54-14-12-46-57(51,52)32-9-5-28(6-10-32)36-24-48(2)26-38-34(36)20-30(42)22-40(38)44;1-19-14-20(4-10-26(19)33-28-16-22(40)6-12-31(28)49-37(51-33)53-35(45)46)2-8-24(55)18-25(56)9-3-21-5-11-27(30(15-21)39(42,43)44)34-29-17-23(41)7-13-32(29)50-38(52-34)54-36(47)48/h1-14,27-30H,15-26H2,(H4,51,52,55,57,59)(H4,53,54,56,58,60);3-10,19-22,35-36,45-46H,11-18,23-26H2,1-2H3;4-7,10-17H,2-3,8-9,18H2,1H3,(H4,45,46,49,51,53)(H4,47,48,50,52,54)
InChIKeyULJILKWJGNDENU-UHFFFAOYSA-N
MW2596.37 g/mol
LogP20.96
Rot. Bonds42

About 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide

2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide (PubChem CID 161124437) has the molecular formula C127H129Cl8F3N28O9S2 and a molecular weight of 2596.37 g/mol. Its IUPAC name is 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
PubChem CID161124437
Molecular FormulaC127H129Cl8F3N28O9S2
Molecular Weight2596.37 g/mol
Exact Mass2590.74
IUPAC Name2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1.Cc1cc(CCC(=O)CC(=O)CCc2ccc(-c3nc(N=C(N)N)nc4ccc(Cl)cc34)c(C(F)(F)F)c2)ccc1-c1nc(N=C(N)N)nc2ccc(Cl)cc12.NC(N)=Nc1nc(-c2cccc(N3CCN(CCc4ccc(CCN5CCN(c6cccc(-c7nc(N=C(N)N)nc8ccc(Cl)cc78)c6)CC5)cc4)CC3)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C48H50Cl2N14.C40H46Cl4N4O7S2.C39H33Cl2F3N10O2/c49-35-11-13-41-39(29-35)43(57-47(55-41)59-45(51)52)33-3-1-5-37(27-33)63-23-19-61(20-24-63)17-15-31-7-9-32(10-8-31)16-18-62-21-25-64(26-22-62)38-6-2-4-34(28-38)44-40-30-36(50)12-14-42(40)56-48(58-44)60-46(53)54;1-47-23-35(33-19-29(41)21-39(43)37(33)25-47)27-3-7-31(8-4-27)56(49,50)45-11-13-53-15-17-55-18-16-54-14-12-46-57(51,52)32-9-5-28(6-10-32)36-24-48(2)26-38-34(36)20-30(42)22-40(38)44;1-19-14-20(4-10-26(19)33-28-16-22(40)6-12-31(28)49-37(51-33)53-35(45)46)2-8-24(55)18-25(56)9-3-21-5-11-27(30(15-21)39(42,43)44)34-29-17-23(41)7-13-32(29)50-38(52-34)54-36(47)48/h1-14,27-30H,15-26H2,(H4,51,52,55,57,59)(H4,53,54,56,58,60);3-10,19-22,35-36,45-46H,11-18,23-26H2,1-2H3;4-7,10-17H,2-3,8-9,18H2,1H3,(H4,45,46,49,51,53)(H4,47,48,50,52,54)
InChIKeyULJILKWJGNDENU-UHFFFAOYSA-N
XLogP20.96
TPSA534.33 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds42
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002596.37
LogP ≤ 520.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide with MolForge

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Related Compounds

2-[6-Chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine
CID 157073258
CID 157576163
CID 157576163
2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-(trifluoromethyl)phenyl]-3,5-dioxoheptyl]-2-methylphenyl]-1H-quinazolin-2-ylidene]ethanimidamide;6,8-dichloro-4-[4-[3-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propoxy]ethoxy]ethoxy]propyl]phenyl]-2-methyl-3,4-dihydro-1H-isoquinoline;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[[4-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-oxopropyl]phenyl]methyl]benzamide;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
CID 157839824
2-[6-chloro-4-[4-[7-[4-[7-chloro-3-(diaminomethylideneamino)naphthalen-1-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
CID 160830760
2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;6,8-dichloro-4-[4-[3-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propoxy]ethoxy]ethoxy]propyl]phenyl]-2-methyl-3,4-dihydro-1H-isoquinoline;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[[4-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-oxopropyl]phenyl]methyl]benzamide;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
CID 160875162

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide (CID 161124437) is 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1.Cc1cc(CCC(=O)CC(=O)CCc2ccc(-c3nc(N=C(N)N)nc4ccc(Cl)cc34)c(C(F)(F)F)c2)ccc1-c1nc(N=C(N)N)nc2ccc(Cl)cc12.NC(N)=Nc1nc(-c2cccc(N3CCN(CCc4ccc(CCN5CCN(c6cccc(-c7nc(N=C(N)N)nc8ccc(Cl)cc78)c6)CC5)cc4)CC3)c2)c2cc(Cl)ccc2n1.
What is the InChIKey of 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide?
The InChIKey is ULJILKWJGNDENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50Cl2N14.C40H46Cl4N4O7S2.C39H33Cl2F3N10O2/c49-35-11-13-41-39(29-35)43(57-47(55-41)59-45(51)52)33-3-1-5-37(27-33)63-23-19-61(20-24-63)17-15-31-7-9-32(10-8-31)16-18-62-21-25-64(26-22-62)38-6-2-4-34(28-38)44-40-30-36(50)12-14-42(40)56-48(58-44)60-46(53)54;1-47-23-35(33-19-29(41)21-39(43)37(33)25-47)27-3-7-31(8-4-27)56(49,50)45-11-13-53-15-17-55-18-16-54-14-12-46-57(51,52)32-9-5-28(6-10-32)36-24-48(2)26-38-34(36)20-30(42)22-40(38)44;1-19-14-20(4-10-26(19)33-28-16-22(40)6-12-31(28)49-37(51-33)53-35(45)46)2-8-24(55)18-25(56)9-3-21-5-11-27(30(15-21)39(42,43)44)34-29-17-23(41)7-13-32(29)50-38(52-34)54-36(47)48/h1-14,27-30H,15-26H2,(H4,51,52,55,57,59)(H4,53,54,56,58,60);3-10,19-22,35-36,45-46H,11-18,23-26H2,1-2H3;4-7,10-17H,2-3,8-9,18H2,1H3,(H4,45,46,49,51,53)(H4,47,48,50,52,54).
What are the key properties of 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide?
2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide has a molecular weight of 2596.37 g/mol, XLogP of 20.96, 42 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-[4-[7-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]-3-methylphenyl]-3,5-dioxoheptyl]-2-(trifluoromethyl)phenyl]quinazolin-2-yl]guanidine;2-[6-chloro-4-[3-[4-[2-[4-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethyl]phenyl]ethyl]piperazin-1-yl]phenyl]quinazolin-2-yl]guanidine;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 161124437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).