(4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane

C231H327Cl16N17O54S8 — CID 159365107

IUPAC(4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane
SMILESC.C.C.C.CCCOCCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.CCS(=O)(=O)c1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@@H](O)[C@H](O)C(=O)CCCOCCOCCOCCCS(C)(=O)=O)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)CCCOCCOCCOCCCS(C)(=O)=O)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)CCCOCCOCCOCCCS(C)(=O)=O)c2)C1.Cc1ccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1.Cc1ccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1.Cc1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C41H64Cl2N4O10S.3C39H59Cl2N3O14S2.C18H19Cl2NO2S.3C17H17Cl2N.4CH4/c1-3-16-52-20-24-56-25-21-53-17-8-11-35(48)10-5-4-6-13-44-41(49)45-14-18-54-22-26-57-27-23-55-19-15-46-58(50,51)36-12-7-9-33(28-36)38-31-47(2)32-39-37(38)29-34(42)30-40(39)43;1-44-27-33(32-25-30(40)26-35(41)34(32)28-44)29-6-3-7-31(24-29)60(51,52)43-10-14-56-18-22-58-21-17-55-13-9-42-39(48)38(47)37(46)36(45)8-4-11-53-15-19-57-20-16-54-12-5-23-59(2,49)50;2*1-44-27-33(32-25-30(40)26-35(41)34(32)28-44)29-6-8-31(9-7-29)60(51,52)43-11-15-56-19-23-58-22-18-55-14-10-42-39(48)38(47)37(46)36(45)5-3-12-53-16-20-57-21-17-54-13-4-24-59(2,49)50;1-3-24(22,23)14-6-4-5-12(7-14)16-10-21(2)11-17-15(16)8-13(19)9-18(17)20;2*1-11-3-5-12(6-4-11)15-9-20(2)10-16-14(15)7-13(18)8-17(16)19;1-11-4-3-5-12(6-11)15-9-20(2)10-16-14(15)7-13(18)8-17(16)19;;;;/h7,9,12,28-30,38,46H,3-6,8,10-11,13-27,31-32H2,1-2H3,(H2,44,45,49);3,6-7,24-26,33,37-38,43,46-47H,4-5,8-23,27-28H2,1-2H3,(H,42,48);2*6-9,25-26,33,37-38,43,46-47H,3-5,10-24,27-28H2,1-2H3,(H,42,48);4-9,16H,3,10-11H2,1-2H3;3*3-8,15H,9-10H2,1-2H3;4*1H4/t38-;33-,37-,38+;33-,37+,38-;33-,37-,38+;16-;3*15-;;;;/m00000000..../s1
InChIKeyLJAJHMGMXHNAHJ-ULCGMIOISA-N
MW5030.01 g/mol
LogP31.83
Rot. Bonds135

About (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane

(4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane (PubChem CID 159365107) has the molecular formula C231H327Cl16N17O54S8 and a molecular weight of 5030.01 g/mol. Its IUPAC name is (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane.

Molecular Properties

Compound Name(4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane
PubChem CID159365107
Molecular FormulaC231H327Cl16N17O54S8
Molecular Weight5030.01 g/mol
Exact Mass5018.61
IUPAC Name(4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane
SMILESC.C.C.C.CCCOCCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.CCS(=O)(=O)c1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@@H](O)[C@H](O)C(=O)CCCOCCOCCOCCCS(C)(=O)=O)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)CCCOCCOCCOCCCS(C)(=O)=O)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)CCCOCCOCCOCCCS(C)(=O)=O)c2)C1.Cc1ccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1.Cc1ccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1.Cc1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C41H64Cl2N4O10S.3C39H59Cl2N3O14S2.C18H19Cl2NO2S.3C17H17Cl2N.4CH4/c1-3-16-52-20-24-56-25-21-53-17-8-11-35(48)10-5-4-6-13-44-41(49)45-14-18-54-22-26-57-27-23-55-19-15-46-58(50,51)36-12-7-9-33(28-36)38-31-47(2)32-39-37(38)29-34(42)30-40(39)43;1-44-27-33(32-25-30(40)26-35(41)34(32)28-44)29-6-3-7-31(24-29)60(51,52)43-10-14-56-18-22-58-21-17-55-13-9-42-39(48)38(47)37(46)36(45)8-4-11-53-15-19-57-20-16-54-12-5-23-59(2,49)50;2*1-44-27-33(32-25-30(40)26-35(41)34(32)28-44)29-6-8-31(9-7-29)60(51,52)43-11-15-56-19-23-58-22-18-55-14-10-42-39(48)38(47)37(46)36(45)5-3-12-53-16-20-57-21-17-54-13-4-24-59(2,49)50;1-3-24(22,23)14-6-4-5-12(7-14)16-10-21(2)11-17-15(16)8-13(19)9-18(17)20;2*1-11-3-5-12(6-4-11)15-9-20(2)10-16-14(15)7-13(18)8-17(16)19;1-11-4-3-5-12(6-11)15-9-20(2)10-16-14(15)7-13(18)8-17(16)19;;;;/h7,9,12,28-30,38,46H,3-6,8,10-11,13-27,31-32H2,1-2H3,(H2,44,45,49);3,6-7,24-26,33,37-38,43,46-47H,4-5,8-23,27-28H2,1-2H3,(H,42,48);2*6-9,25-26,33,37-38,43,46-47H,3-5,10-24,27-28H2,1-2H3,(H,42,48);4-9,16H,3,10-11H2,1-2H3;3*3-8,15H,9-10H2,1-2H3;4*1H4/t38-;33-,37-,38+;33-,37+,38-;33-,37-,38+;16-;3*15-;;;;/m00000000..../s1
InChIKeyLJAJHMGMXHNAHJ-ULCGMIOISA-N
XLogP31.83
TPSA886.77 Ų
H-Bond Donors15
H-Bond Acceptors62
Rotatable Bonds135
Heavy Atoms326
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005030.01
LogP ≤ 531.83
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1062

Analyze (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane with MolForge

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Related Compounds

N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide
CID 159643438
7-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-N-[2-[2-[3-(4-methylphenyl)sulfonylpropoxy]ethoxy]ethyl]-4-oxoheptanamide
CID 161388595
3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzenesulfonamide;6,8-dichloro-2-methyl-4-(3-propylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline;1-[2-(2-methoxyethoxy)ethyl]-3-pentylurea
CID 158612817
(2S,3S)-N,N'-bis[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide
CID 118218220
1-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea
CID 78122784
1-[9-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-4-methylphenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-4-methylphenyl]sulfonylpropoxy]ethoxy]ethyl]urea
CID 159968062
N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-N'-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,3-dihydroxybutanediamide
CID 118011678
7-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-N-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-4-oxoheptanamide
CID 159823733
N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-N'-methylbutanediamide
CID 70912879
(2R,3R)-N,N'-bis[2-[2-[2-[2-[[3-[(4R)-8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide
CID 156700334
bis(2,5-dioxopyrrolidin-1-yl) 2,3-dihydroxybutanedioate;7-[3-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]propoxy]-N-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxoheptanamide;2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethanamine;N,N-diethylethanamine;methane
CID 160998796
6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 159998863

Frequently Asked Questions

What is the IUPAC name of (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane?
The IUPAC name of (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane (CID 159365107) is (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane.
What is the SMILES notation for (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane?
The canonical SMILES for (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane is C.C.C.C.CCCOCCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.CCS(=O)(=O)c1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@@H](O)[C@H](O)C(=O)CCCOCCOCCOCCCS(C)(=O)=O)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)CCCOCCOCCOCCCS(C)(=O)=O)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)CCCOCCOCCOCCCS(C)(=O)=O)c2)C1.Cc1ccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1.Cc1ccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1.Cc1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.
What is the InChIKey of (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane?
The InChIKey is LJAJHMGMXHNAHJ-ULCGMIOISA-N. The full InChI is InChI=1S/C41H64Cl2N4O10S.3C39H59Cl2N3O14S2.C18H19Cl2NO2S.3C17H17Cl2N.4CH4/c1-3-16-52-20-24-56-25-21-53-17-8-11-35(48)10-5-4-6-13-44-41(49)45-14-18-54-22-26-57-27-23-55-19-15-46-58(50,51)36-12-7-9-33(28-36)38-31-47(2)32-39-37(38)29-34(42)30-40(39)43;1-44-27-33(32-25-30(40)26-35(41)34(32)28-44)29-6-3-7-31(24-29)60(51,52)43-10-14-56-18-22-58-21-17-55-13-9-42-39(48)38(47)37(46)36(45)8-4-11-53-15-19-57-20-16-54-12-5-23-59(2,49)50;2*1-44-27-33(32-25-30(40)26-35(41)34(32)28-44)29-6-8-31(9-7-29)60(51,52)43-11-15-56-19-23-58-22-18-55-14-10-42-39(48)38(47)37(46)36(45)5-3-12-53-16-20-57-21-17-54-13-4-24-59(2,49)50;1-3-24(22,23)14-6-4-5-12(7-14)16-10-21(2)11-17-15(16)8-13(19)9-18(17)20;2*1-11-3-5-12(6-4-11)15-9-20(2)10-16-14(15)7-13(18)8-17(16)19;1-11-4-3-5-12(6-11)15-9-20(2)10-16-14(15)7-13(18)8-17(16)19;;;;/h7,9,12,28-30,38,46H,3-6,8,10-11,13-27,31-32H2,1-2H3,(H2,44,45,49);3,6-7,24-26,33,37-38,43,46-47H,4-5,8-23,27-28H2,1-2H3,(H,42,48);2*6-9,25-26,33,37-38,43,46-47H,3-5,10-24,27-28H2,1-2H3,(H,42,48);4-9,16H,3,10-11H2,1-2H3;3*3-8,15H,9-10H2,1-2H3;4*1H4/t38-;33-,37-,38+;33-,37+,38-;33-,37-,38+;16-;3*15-;;;;/m00000000..../s1.
What are the key properties of (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane?
(4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane has a molecular weight of 5030.01 g/mol, XLogP of 31.83, 135 rotatable bonds, 15 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,8-dichloro-4-(3-ethylsulfonylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;(2R,3R)-N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2S,3S)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;(2R,3R)-N-[2-[2-[2-[2-[[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxy-7-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]-4-oxoheptanamide;1-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-oxo-9-[2-(2-propoxyethoxy)ethoxy]nonyl]urea;(4S)-6,8-dichloro-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline;bis((4S)-6,8-dichloro-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline);methane is sourced from PubChem (CID 159365107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).