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O7X
O7X
Name:(1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide
Formula:C25 H21 N O9 S2
SMILES:O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1
InChi:InChI=1S/C25H21NO9S2/c27-17-2-1-3-19(11-17)36(32,33)18-7-4-15(5-8-18)14-26-37(34,35)25-13-24(31)23(30)12-20(25)16-6-9-21(28)22(29)10-16/h1-13,26-31H,14H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:(1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide
O88
O88
Name:N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide
Formula:C19 H17 N O8 S2
SMILES:Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1
InChi:InChI=1S/C19H17NO8S2/c21-16-7-5-14(9-18(16)23)29(25,26)13-3-1-12(2-4-13)11-20-30(27,28)15-6-8-17(22)19(24)10-15/h1-10,20-24H,11H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide
O8C
O8C
Name:4-methoxybenzenecarbonitrile
Formula:C8 H7 N O
SMILES:COc1ccc(cc1)C#N
InChi:InChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
Definition date:2023-01-26
Last modified:2023-04-07
Release date:2023-04-12
Identifier:4-methoxybenzenecarbonitrile
O8F
O8F
Name:(1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide
Formula:C25 H21 N O10 S2
SMILES:O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1
InChi:InChI=1S/C25H21NO10S2/c27-19-7-3-15(9-21(19)29)18-11-23(31)24(32)12-25(18)38(35,36)26-13-14-1-4-16(5-2-14)37(33,34)17-6-8-20(28)22(30)10-17/h1-12,26-32H,13H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:(1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide
O8O
O8O
Name:(10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
Formula:C25 H19 N O10 S2
SMILES:Oc1cc(ccc1O)S(=O)(=O)c1ccc(cc1)CN1c2cc(O)c(O)cc2c2cc(O)c(O)cc2S1(=O)=O
InChi:InChI=1S/C25H19NO10S2/c27-19-6-5-15(7-20(19)28)37(33,34)14-3-1-13(2-4-14)12-26-18-10-23(31)21(29)8-16(18)17-9-22(30)24(32)11-25(17)38(26,35)36/h1-11,27-32H,12H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:(10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
O8U
O8U
Name:4-methoxyaniline
Formula:C7 H9 N O
SMILES:COc1ccc(N)cc1
InChi:InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
Definition date:2023-01-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:4-methoxyaniline
O8X
O8X
Name:3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide
Formula:C20 H19 N O7 S2
SMILES:Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1
InChi:InChI=1S/C20H19NO7S2/c22-15-2-1-3-17(12-15)29(25,26)16-6-4-14(5-7-16)10-11-21-30(27,28)18-8-9-19(23)20(24)13-18/h1-9,12-13,21-24H,10-11H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide
O99
O99
Name:3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide
Formula:C19 H17 N O7 S2
SMILES:Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1
InChi:InChI=1S/C19H17NO7S2/c21-14-2-1-3-16(10-14)28(24,25)15-6-4-13(5-7-15)12-20-29(26,27)17-8-9-18(22)19(23)11-17/h1-11,20-23H,12H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide
O9F
O9F
Name:1-(4-methoxyphenyl)ethanone
Formula:C9 H10 O2
SMILES:COc1ccc(cc1)C(C)=O
InChi:InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
Definition date:2023-01-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:1-(4-methoxyphenyl)ethanone
O9I
O9I
Name:N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide
Formula:C25 H21 N O9 S2
SMILES:O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1cc(O)c(O)cc1c1ccc(O)cc1
InChi:InChI=1S/C25H21NO9S2/c27-17-5-3-16(4-6-17)20-12-23(30)24(31)13-25(20)37(34,35)26-14-15-1-7-18(8-2-15)36(32,33)19-9-10-21(28)22(29)11-19/h1-13,26-31H,14H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide
O9R
O9R
Name:4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide
Formula:C25 H21 N O8 S2
SMILES:O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1ccc(O)cc1
InChi:InChI=1S/C25H21NO8S2/c27-18-8-6-17(7-9-18)22-13-23(29)24(30)14-25(22)36(33,34)26-15-16-4-10-20(11-5-16)35(31,32)21-3-1-2-19(28)12-21/h1-14,26-30H,15H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide
OA0
OA0
Name:(10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione
Formula:C12 H8 O6 S
SMILES:Oc1ccc2c3cc(O)c(O)cc3S(=O)(=O)Oc2c1
InChi:InChI=1S/C12H8O6S/c13-6-1-2-7-8-4-9(14)10(15)5-12(8)19(16,17)18-11(7)3-6/h1-5,13-15H
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:(10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione
OAT
OAT
Name:N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide
Formula:C25 H21 N O10 S2
SMILES:Oc1ccc(cc1O)S(=O)(=O)N(Cc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1ccc(O)c(O)c1
InChi:InChI=1S/C25H21NO10S2/c27-20-8-3-16(11-23(20)30)26(38(35,36)19-7-10-22(29)25(32)13-19)14-15-1-4-17(5-2-15)37(33,34)18-6-9-21(28)24(31)12-18/h1-13,27-32H,14H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide
OB0
OB0
Name:4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol
Formula:C16 H19 N3 O6 S2
SMILES:O=S(=O)(c1cc(O)c(O)cc1)N1CCN(CC1)S(=O)(=O)c1ccc(N)cc1
InChi:InChI=1S/C16H19N3O6S2/c17-12-1-3-13(4-2-12)26(22,23)18-7-9-19(10-8-18)27(24,25)14-5-6-15(20)16(21)11-14/h1-6,11,20-21H,7-10,17H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol
OCU
OCU
Name:(1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol
Formula:C22 H23 N3 O8 S2
SMILES:O=S(=O)(c1cc(O)c(O)cc1c1ccc(O)c(O)c1)N1CCN(CC1)S(=O)(=O)c1cc(N)ccc1
InChi:InChI=1S/C22H23N3O8S2/c23-15-2-1-3-16(11-15)34(30,31)24-6-8-25(9-7-24)35(32,33)22-13-21(29)20(28)12-17(22)14-4-5-18(26)19(27)10-14/h1-5,10-13,26-29H,6-9,23H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:(1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol
OD5
OD5
Name:4,4'-sulfonyldi(benzene-1,2-diol)
Formula:C12 H10 O6 S
SMILES:Oc1ccc(cc1O)S(=O)(=O)c1cc(O)c(O)cc1
InChi:InChI=1S/C12H10O6S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6,13-16H
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:4,4'-sulfonyldi(benzene-1,2-diol)
OD9
OD9
Name:(1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide
Formula:C26 H23 N O8 S
SMILES:O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1
InChi:InChI=1S/C26H23NO8S/c28-20-7-5-17(10-22(20)30)9-15-1-3-16(4-2-15)14-27-36(34,35)26-13-25(33)24(32)12-19(26)18-6-8-21(29)23(31)11-18/h1-8,10-13,27-33H,9,14H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:(1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide
ODL
ODL
Name:N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide
Formula:C20 H19 N O4 S
SMILES:O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccccc1
InChi:InChI=1S/C20H19NO4S/c22-19-11-10-17(13-20(19)23)12-15-6-8-16(9-7-15)14-21-26(24,25)18-4-2-1-3-5-18/h1-11,13,21-23H,12,14H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide
OE0
OE0
Name:N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide
Formula:C20 H19 N O6 S
SMILES:Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(Cc2ccc(O)c(O)c2)cc1
InChi:InChI=1S/C20H19NO6S/c22-17-7-5-15(10-19(17)24)9-13-1-3-14(4-2-13)12-21-28(26,27)16-6-8-18(23)20(25)11-16/h1-8,10-11,21-25H,9,12H2
Definition date:2022-04-27
Last modified:2023-04-07
Release date:2023-04-12
Identifier:N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide
OJU
OJU
Name:2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium
Formula:C18 H33 Cl N5 O12 P2
SMILES:C[N+](C)(CCCNC(=O)CCl)CCO[P](O)(=O)O[P](O)(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N
InChi:InChI=1S/C18H32ClN5O12P2/c1-24(2,7-3-5-21-14(25)10-19)8-9-33-37(29,30)36-38(31,32)34-11-12-15(26)16(27)17(35-12)23-6-4-13(20)22-18(23)28/h4,6,12,15-17,26-27H,3,5,7-11H2,1-2H3,(H4-,20,21,22,25,28,29,30,31,32)/p+1
Synonyms:Cytidine-diphosphate with a thiol-reactive chloroacetamide (cross-linker)
Definition date:2022-09-13
Last modified:2023-04-07
Release date:2023-04-12
Identifier:2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium
OYH
OYH
Name:4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
Formula:C27 H19 N3 O4
SMILES:O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccccc1
InChi:InChI=1S/C27H19N3O4/c31-26(32)21-12-11-20(16-22(21)27(33)34)28-25-24(18-9-5-2-6-10-18)29-23-15-19(13-14-30(23)25)17-7-3-1-4-8-17/h1-16,28H,(H,31,32)(H,33,34)
Definition date:2022-05-19
Last modified:2023-04-07
Release date:2023-04-12
Identifier:4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
OYR
OYR
Name:4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid
Formula:C41 H32 N4 O5
SMILES:O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccc(CCOCc2ccc(cc2)c2ccccn2)cc1
InChi:InChI=1S/C41H32N4O5/c46-40(47)34-18-17-33(25-35(34)41(48)49)43-39-38(44-37-24-32(19-22-45(37)39)29-6-2-1-3-7-29)31-15-9-27(10-16-31)20-23-50-26-28-11-13-30(14-12-28)36-8-4-5-21-42-36/h1-19,21-22,24-25,43H,20,23,26H2,(H,46,47)(H,48,49)
Definition date:2022-05-19
Last modified:2023-04-07
Release date:2023-04-12
Identifier:4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid
P2R
P2R
Name:N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
Formula:C25 H26 N4 O2
SMILES:Nc1nc2cc(ccc2cc1)CNC(=O)c1cc2c(cc1)n(CCO)c1CCCCc21
InChi:InChI=1S/C25H26N4O2/c26-24-10-8-17-6-5-16(13-21(17)28-24)15-27-25(31)18-7-9-23-20(14-18)19-3-1-2-4-22(19)29(23)11-12-30/h5-10,13-14,30H,1-4,11-12,15H2,(H2,26,28)(H,27,31)
Definition date:2022-05-24
Last modified:2023-04-07
Release date:2023-04-12
Identifier:N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
QVP
QVP
Name:4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid
Formula:C19 H17 N O2 S
SMILES:c3c(c2c(C(O)=O)sc(CCCc1ccccc1)n2)cccc3
InChi:InChI=1S/C19H17NO2S/c21-19(22)18-17(15-11-5-2-6-12-15)20-16(23-18)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,21,22)
Definition date:2020-01-02
Last modified:2023-04-07
Release date:2023-04-12
Identifier:4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid
BKB
BKB
Name:5-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide
Formula:C25 H29 Cl F3 N5 O5 S
SMILES:O=S(=O)(c1cc2CCN(C(=O)NCCCCC(=O)NO)c2cc1)N1CCN(CC1)c1cc(cc(Cl)c1)C(F)(F)F
InChi:InChI=1S/C25H29ClF3N5O5S/c26-19-14-18(25(27,28)29)15-20(16-19)32-9-11-33(12-10-32)40(38,39)21-4-5-22-17(13-21)6-8-34(22)24(36)30-7-2-1-3-23(35)31-37/h4-5,13-16,37H,1-3,6-12H2,(H,30,36)(H,31,35)
Definition date:2021-11-17
Last modified:2023-04-07
Release date:2023-04-12
Identifier:5-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide

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