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JTJ
JTJ
Name:N-[(2S,3S,4R)-3,4-dihydroxy-1-({4-O-[(4-methylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide
Formula:C58 H107 N O9
SMILES:O(CC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C1C(C(C(C(O1)CO)OCc2ccc(cc2)C)O)O
InChi:InChI=1S/C58H107NO9/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-53(62)59-50(54(63)51(61)39-37-35-33-31-29-17-15-13-11-9-7-5-2)47-67-58-56(65)55(64)57(52(45-60)68-58)66-46-49-43-41-48(3)42-44-49/h41-44,50-52,54-58,60-61,63-65H,4-40,45-47H2,1-3H3,(H,59,62)/t50-,51+,52+,54-,55+,56+,57-,58-/m0/s1
Definition date:2018-09-21
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(2S,3S,4R)-3,4-dihydroxy-1-({4-O-[(4-methylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide
JTM
JTM
Name:N-[(2S,3S,4R)-1-({4-O-[(4-chlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
Formula:C57 H104 Cl N O9
SMILES:C2(OC(CO)C(OCc1ccc(Cl)cc1)C(C2O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C57H104ClNO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-52(62)59-49(53(63)50(61)38-36-34-32-30-28-16-14-12-10-8-6-4-2)46-67-57-55(65)54(64)56(51(44-60)68-57)66-45-47-40-42-48(58)43-41-47/h40-43,49-51,53-57,60-61,63-65H,3-39,44-46H2,1-2H3,(H,59,62)/t49-,50+,51+,53-,54+,55+,56-,57-/m0/s1
Definition date:2018-09-21
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(2S,3S,4R)-1-({4-O-[(4-chlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
JTV
JTV
Name:N-{(2S,3S,4R)-1-[(4-O-benzyl-alpha-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide
Formula:C57 H105 N O9
SMILES:C1(OC(C(C(C1OCc2ccccc2)O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)CO
InChi:InChI=1S/C57H105NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-40-44-52(61)58-49(53(62)50(60)43-39-34-32-30-28-16-14-12-10-8-6-4-2)47-66-57-55(64)54(63)56(51(45-59)67-57)65-46-48-41-37-36-38-42-48/h36-38,41-42,49-51,53-57,59-60,62-64H,3-35,39-40,43-47H2,1-2H3,(H,58,61)/t49-,50+,51+,53-,54+,55+,56-,57-/m0/s1
Definition date:2018-09-21
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-{(2S,3S,4R)-1-[(4-O-benzyl-alpha-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide
JU1
JU1
Name:N-[(2S,3S,4R)-1-({4-O-[(4-tert-butylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
Formula:C61 H113 N O9
SMILES:C2(OC(CO)C(OCc1ccc(C(C)(C)C)cc1)C(C2O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C61H113NO9/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-55(65)62-52(56(66)53(64)41-39-37-35-33-31-19-17-15-13-11-9-7-2)49-70-60-58(68)57(67)59(54(47-63)71-60)69-48-50-43-45-51(46-44-50)61(3,4)5/h43-46,52-54,56-60,63-64,66-68H,6-42,47-49H2,1-5H3,(H,62,65)/t52-,53+,54+,56-,57+,58+,59-,60-/m0/s1
Definition date:2018-09-21
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(2S,3S,4R)-1-({4-O-[(4-tert-butylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
JU4
JU4
Name:N-[(2S,3S,4R)-1-({4-O-[(3,4-dichlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
Formula:C57 H103 Cl2 N O9
SMILES:C2(OCc1cc(Cl)c(Cl)cc1)C(OC(C(C2O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)CO
InChi:InChI=1S/C57H103Cl2NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-52(63)60-49(53(64)50(62)38-36-34-32-30-28-16-14-12-10-8-6-4-2)45-68-57-55(66)54(65)56(51(43-61)69-57)67-44-46-40-41-47(58)48(59)42-46/h40-42,49-51,53-57,61-62,64-66H,3-39,43-45H2,1-2H3,(H,60,63)/t49-,50+,51+,53-,54+,55+,56-,57-/m0/s1
Definition date:2018-09-21
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(2S,3S,4R)-1-({4-O-[(3,4-dichlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
JUD
JUD
Name:N-{(2S,3S,4R)-3,4-dihydroxy-1-[(4-O-{[4-(trifluoromethyl)phenyl]methyl}-alpha-D-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide
Formula:C58 H104 F3 N O9
SMILES:C1(OC(C(C(C1O)O)OCc2ccc(cc2)C(F)(F)F)CO)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C58H104F3NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-52(65)62-49(53(66)50(64)38-36-34-32-30-28-16-14-12-10-8-6-4-2)46-70-57-55(68)54(67)56(51(44-63)71-57)69-45-47-40-42-48(43-41-47)58(59,60)61/h40-43,49-51,53-57,63-64,66-68H,3-39,44-46H2,1-2H3,(H,62,65)/t49-,50+,51+,53-,54+,55+,56-,57-/m0/s1
Definition date:2018-09-24
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-{(2S,3S,4R)-3,4-dihydroxy-1-[(4-O-{[4-(trifluoromethyl)phenyl]methyl}-alpha-D-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide
JY4
JY4
Name:7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline
Formula:C12 H12 N4 O2
SMILES:c23c1c(cc(c(c1)OC)OC)nnc2nnc3C
InChi:InChI=1S/C12H12N4O2/c1-6-11-7-4-9(17-2)10(18-3)5-8(7)14-16-12(11)15-13-6/h4-5H,1-3H3,(H,13,15,16)
Definition date:2018-10-17
Last modified:2019-01-04
Release date:2019-01-09
Identifier:7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline
JY7
JY7
Name:8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline
Formula:C17 H14 F N5 O
SMILES:n1nc3n(nc(c3c2cc(cc(c12)OC)F)c4ccncc4C)C
InChi:InChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3
Definition date:2018-10-17
Last modified:2019-01-04
Release date:2019-01-09
Identifier:8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline
93S
93S
Name:N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)
Formula:C20 H24 Cl2 N4 O7 S2
SMILES:C(=O)(NS(c1cc(Cl)ccc1)(=O)=O)NCCCOCCCNC(=O)NS(c2cc(Cl)ccc2)(=O)=O
InChi:InChI=1S/C20H24Cl2N4O7S2/c21-15-5-1-7-17(13-15)34(29,30)25-19(27)23-9-3-11-33-12-4-10-24-20(28)26-35(31,32)18-8-2-6-16(22)14-18/h1-2,5-8,13-14H,3-4,9-12H2,(H2,23,25,27)(H2,24,26,28)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)
93V
93V
Name:2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
Formula:C13 H10 O6
SMILES:C(O)(c2c(c1ccc(cc1)OC)occ2C(=O)O)=O
InChi:InChI=1S/C13H10O6/c1-18-8-4-2-7(3-5-8)11-10(13(16)17)9(6-19-11)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
93Y
93Y
Name:N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
Formula:C20 H24 Cl2 N4 O6 S2
SMILES:C(=O)(NCCCCCCNC(=O)NS(c1cccc(c1)Cl)(=O)=O)NS(c2cc(Cl)ccc2)(=O)=O
InChi:InChI=1S/C20H24Cl2N4O6S2/c21-15-7-5-9-17(13-15)33(29,30)25-19(27)23-11-3-1-2-4-12-24-20(28)26-34(31,32)18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H2,23,25,27)(H2,24,26,28)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
947
947
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide
Formula:C18 H16 Br N3 O3 S2
SMILES:C(=O)(NS(c1cc(c(cc1)c2ccccc2)CC)(=O)=O)Nc3sc(Br)cn3
InChi:InChI=1S/C18H16BrN3O3S2/c1-2-12-10-14(8-9-15(12)13-6-4-3-5-7-13)27(24,25)22-17(23)21-18-20-11-16(19)26-18/h3-11H,2H2,1H3,(H2,20,21,22,23)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide
94D
94D
Name:{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
Formula:C11 H15 N2 O4 P S
SMILES:c2(c1c(sc(N)n1)CC(C)C)ccc(o2)P(O)(O)=O
InChi:InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
94G
94G
Name:N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide
Formula:C12 H9 Br Cl N3 O3 S
SMILES:c1(nccc(c1)Br)NC(=O)NS(c2ccc(Cl)cc2)(=O)=O
InChi:InChI=1S/C12H9BrClN3O3S/c13-8-5-6-15-11(7-8)16-12(18)17-21(19,20)10-3-1-9(14)2-4-10/h1-7H,(H2,15,16,17,18)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide
94J
94J
Name:N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
Formula:C19 H22 Cl2 N4 O6 S2
SMILES:C(=O)(NCCCCCNC(=O)NS(c1cccc(c1)Cl)(=O)=O)NS(c2cc(Cl)ccc2)(=O)=O
InChi:InChI=1S/C19H22Cl2N4O6S2/c20-14-6-4-8-16(12-14)32(28,29)24-18(26)22-10-2-1-3-11-23-19(27)25-33(30,31)17-9-5-7-15(21)13-17/h4-9,12-13H,1-3,10-11H2,(H2,22,24,26)(H2,23,25,27)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
94S
94S
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide
Formula:C15 H18 Br N3 O4 S2
SMILES:C(=O)(NS(c1cc(CC(C)C)c(cc1)OC)(=O)=O)Nc2sc(Br)cn2
InChi:InChI=1S/C15H18BrN3O4S2/c1-9(2)6-10-7-11(4-5-12(10)23-3)25(21,22)19-14(20)18-15-17-8-13(16)24-15/h4-5,7-9H,6H2,1-3H3,(H2,17,18,19,20)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide
94V
94V
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
Formula:C10 H7 Br Cl N3 O3 S2
SMILES:c1(sc(nc1)NC(=O)NS(c2ccccc2Cl)(=O)=O)Br
InChi:InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15,16)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
94Y
94Y
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide
Formula:C10 H6 Br Cl2 N3 O3 S2
SMILES:C(=O)(NS(c1cc(c(cc1)Cl)Cl)(=O)=O)Nc2sc(Br)cn2
InChi:InChI=1S/C10H6BrCl2N3O3S2/c11-8-4-14-10(20-8)15-9(17)16-21(18,19)5-1-2-6(12)7(13)3-5/h1-4H,(H2,14,15,16,17)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide
95G
95G
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
Formula:C14 H10 Br Cl2 N5 O4 S2
SMILES:c2(Oc1c(c(Cl)nn1C)Cl)ccc(cc2)S(NC(=O)Nc3sc(cn3)Br)(=O)=O
InChi:InChI=1S/C14H10BrCl2N5O4S2/c1-22-12(10(16)11(17)20-22)26-7-2-4-8(5-3-7)28(24,25)21-13(23)19-14-18-6-9(15)27-14/h2-6H,1H3,(H2,18,19,21,23)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
95J
95J
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
Formula:C11 H7 Br N4 O4 S3
SMILES:C(=O)(Nc1ncc(Br)s1)NS(c3ccc(c2ccon2)s3)(=O)=O
InChi:InChI=1S/C11H7BrN4O4S3/c12-8-5-13-11(22-8)14-10(17)16-23(18,19)9-2-1-7(21-9)6-3-4-20-15-6/h1-5H,(H2,13,14,16,17)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
95M
95M
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
Formula:C12 H14 Br N3 O3 S3
SMILES:C(=O)(NS(c1sc(CC(C)C)cc1)(=O)=O)Nc2sc(Br)cn2
InChi:InChI=1S/C12H14BrN3O3S3/c1-7(2)5-8-3-4-10(20-8)22(18,19)16-11(17)15-12-14-6-9(13)21-12/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16,17)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
95P
95P
Name:4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide
Formula:C8 H4 Br2 Cl N3 O3 S3
SMILES:c1(sc(cn1)Br)NC(=O)NS(c2cc(c(Cl)s2)Br)(=O)=O
InChi:InChI=1S/C8H4Br2ClN3O3S3/c9-3-1-5(19-6(3)11)20(16,17)14-7(15)13-8-12-2-4(10)18-8/h1-2H,(H2,12,13,14,15)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide
95S
95S
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Formula:C12 H14 Br N3 O4 S3
SMILES:C(=O)(NS(c1cc(c(CCOC)s1)C)(=O)=O)Nc2sc(cn2)Br
InChi:InChI=1S/C12H14BrN3O4S3/c1-7-5-10(21-8(7)3-4-20-2)23(18,19)16-11(17)15-12-14-6-9(13)22-12/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
95V
95V
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide
Formula:C14 H11 Br N4 O3 S3
SMILES:c1(ncc(Br)s1)NC(=O)NS(c3ccc(c2nc(C)sc2)cc3)(=O)=O
InChi:InChI=1S/C14H11BrN4O3S3/c1-8-17-11(7-23-8)9-2-4-10(5-3-9)25(21,22)19-13(20)18-14-16-6-12(15)24-14/h2-7H,1H3,(H2,16,18,19,20)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide
95Y
95Y
Name:N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Formula:C18 H23 Br N4 O5 S2
SMILES:c2(nc(NC(=O)NS(c1cc(c(CCOC)s1)C)(=O)=O)cc(c2)Br)N3CCOCC3
InChi:InChI=1S/C18H23BrN4O5S2/c1-12-9-17(29-14(12)3-6-27-2)30(25,26)22-18(24)21-15-10-13(19)11-16(20-15)23-4-7-28-8-5-23/h9-11H,3-8H2,1-2H3,(H2,20,21,22,24)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide

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