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

C164H166Cl14F3N19O14S2 — CID 160875162

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;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
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(C(=O)CCc3ccc(CNC(=O)c4ccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)cc4)cc3)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(CCCOCCOCCOCCCc3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1.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
InChIInChI=1S/C43H39Cl4N3O2.C42H48Cl4N2O3.C40H46Cl4N4O7S2.C39H33Cl2F3N10O2/c1-49-22-36(34-17-32(44)19-40(46)38(34)24-49)28-8-12-30(13-9-28)42(51)16-7-26-3-5-27(6-4-26)21-48-43(52)31-14-10-29(11-15-31)37-23-50(2)25-39-35(37)18-33(45)20-41(39)47;1-47-25-37(35-21-33(43)23-41(45)39(35)27-47)31-11-7-29(8-12-31)5-3-15-49-17-19-51-20-18-50-16-4-6-30-9-13-32(14-10-30)38-26-48(2)28-40-36(38)22-34(44)24-42(40)46;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/h3-6,8-15,17-20,36-37H,7,16,21-25H2,1-2H3,(H,48,52);7-14,21-24,37-38H,3-6,15-20,25-28H2,1-2H3;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)
InChIKeySMHHHJIEEMWHOM-UHFFFAOYSA-N
MW3244.72 g/mol
LogP34.48
Rot. Bonds55

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;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

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 (PubChem CID 160875162) has the molecular formula C164H166Cl14F3N19O14S2 and a molecular weight of 3244.72 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;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.

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;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
PubChem CID160875162
Molecular FormulaC164H166Cl14F3N19O14S2
Molecular Weight3244.72 g/mol
Exact Mass3235.79
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;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
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(C(=O)CCc3ccc(CNC(=O)c4ccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)cc4)cc3)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(CCCOCCOCCOCCCc3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1.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
InChIInChI=1S/C43H39Cl4N3O2.C42H48Cl4N2O3.C40H46Cl4N4O7S2.C39H33Cl2F3N10O2/c1-49-22-36(34-17-32(44)19-40(46)38(34)24-49)28-8-12-30(13-9-28)42(51)16-7-26-3-5-27(6-4-26)21-48-43(52)31-14-10-29(11-15-31)37-23-50(2)25-39-35(37)18-33(45)20-41(39)47;1-47-25-37(35-21-33(43)23-41(45)39(35)27-47)31-11-7-29(8-12-31)5-3-15-49-17-19-51-20-18-50-16-4-6-30-9-13-32(14-10-30)38-26-48(2)28-40-36(38)22-34(44)24-42(40)46;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/h3-6,8-15,17-20,36-37H,7,16,21-25H2,1-2H3,(H,48,52);7-14,21-24,37-38H,3-6,15-20,25-28H2,1-2H3;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)
InChIKeySMHHHJIEEMWHOM-UHFFFAOYSA-N
XLogP34.48
TPSA427.83 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds55
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003244.72
LogP ≤ 534.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

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;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 with MolForge

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Related Compounds

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;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?
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;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) 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;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.
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;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?
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;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 is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(C(=O)CCc3ccc(CNC(=O)c4ccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)cc4)cc3)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(CCCOCCOCCOCCCc3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1.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.
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;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?
The InChIKey is SMHHHJIEEMWHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39Cl4N3O2.C42H48Cl4N2O3.C40H46Cl4N4O7S2.C39H33Cl2F3N10O2/c1-49-22-36(34-17-32(44)19-40(46)38(34)24-49)28-8-12-30(13-9-28)42(51)16-7-26-3-5-27(6-4-26)21-48-43(52)31-14-10-29(11-15-31)37-23-50(2)25-39-35(37)18-33(45)20-41(39)47;1-47-25-37(35-21-33(43)23-41(45)39(35)27-47)31-11-7-29(8-12-31)5-3-15-49-17-19-51-20-18-50-16-4-6-30-9-13-32(14-10-30)38-26-48(2)28-40-36(38)22-34(44)24-42(40)46;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/h3-6,8-15,17-20,36-37H,7,16,21-25H2,1-2H3,(H,48,52);7-14,21-24,37-38H,3-6,15-20,25-28H2,1-2H3;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;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?
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 has a molecular weight of 3244.72 g/mol, XLogP of 34.48, 55 rotatable bonds, 7 hydrogen bond donors, and 26 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;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 is sourced from PubChem (CID 160875162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).