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E3F
E3F
Name:(8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
Formula:C19 H28 N2 O3 S
SMILES:CC[S](=O)(=O)N1CCC[CH]2CN3CCc4cc(OC)ccc4[CH]3C[CH]12
InChi:InChI=1S/C19H28N2O3S/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3/t15-,18+,19+/m1/s1
Definition date:2019-10-03
Last modified:2019-11-29
Release date:2019-12-04
Identifier:(8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
JV1
JV1
Name:(~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one
Formula:C16 H11 N O5
SMILES:[O-][N+](=O)c1cccc(c1)C(=O)C=Cc2ccc3OCOc3c2
InChi:InChI=1S/C16H11NO5/c18-14(12-2-1-3-13(9-12)17(19)20)6-4-11-5-7-15-16(8-11)22-10-21-15/h1-9H,10H2/b6-4+
Definition date:2019-09-09
Last modified:2019-11-29
Release date:2019-12-04
Identifier:(~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one
KE8
KE8
Name:6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
Formula:C22 H27 N7 O2 S
SMILES:Cn1nccc1Nc2nccc(n2)c3sc4c(c3)C(=O)N(CCN5CCOCC5)C4(C)C
InChi:InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26)
Definition date:2019-05-15
Last modified:2019-11-29
Release date:2019-12-04
Identifier:6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
FZK
FZK
Name:5'-O-(N-(L-seryl)-Sulfamoyl)uridine
Formula:C12 H18 N4 O10 S
SMILES:N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
InChi:InChI=1S/C12H18N4O10S/c13-5(3-17)10(21)15-27(23,24)25-4-6-8(19)9(20)11(26-6)16-2-1-7(18)14-12(16)22/h1-2,5-6,8-9,11,17,19-20H,3-4,13H2,(H,15,21)(H,14,18,22)/t5-,6+,8+,9+,11+/m0/s1
Definition date:2018-08-20
Last modified:2019-11-29
Release date:2019-12-04
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
FZQ
FZQ
Name:5'-O-(N-(L-seryl)-sulfamoyl)cytidine
Formula:C12 H19 N5 O9 S
SMILES:N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N
InChi:InChI=1S/C12H19N5O9S/c13-5(3-18)10(21)16-27(23,24)25-4-6-8(19)9(20)11(26-6)17-2-1-7(14)15-12(17)22/h1-2,5-6,8-9,11,18-20H,3-4,13H2,(H,16,21)(H2,14,15,22)/t5-,6+,8+,9+,11+/m0/s1
Definition date:2018-08-20
Last modified:2019-11-29
Release date:2019-12-04
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
FZT
FZT
Name:5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
Formula:C13 H20 N4 O10 S
SMILES:CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)CO)[CH](O)[CH]2O)C1=O
InChi:InChI=1S/C13H20N4O10S/c1-16-8(19)2-3-17(13(16)23)12-10(21)9(20)7(27-12)5-26-28(24,25)15-11(22)6(14)4-18/h2-3,6-7,9-10,12,18,20-21H,4-5,14H2,1H3,(H,15,22)/t6-,7+,9+,10+,12+/m0/s1
Definition date:2018-08-20
Last modified:2019-11-29
Release date:2019-12-04
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
KQV
KQV
Name:[(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
Formula:C40 H44 F2 N7 O9 P
SMILES:c1(C(F)(P(=O)(O)O)F)cc2c(cc1)nc(c2)C(NC4C(=O)N3C(CCC3CCN(C4)C(=O)C)C(NC(C(=O)NC(c5ccccc5)c6ccccc6)CCC(=O)N)=O)=O
InChi:InChI=1S/C40H44F2N7O9P/c1-23(50)48-19-18-28-13-16-33(38(54)45-30(15-17-34(43)51)36(52)47-35(24-8-4-2-5-9-24)25-10-6-3-7-11-25)49(28)39(55)32(22-48)46-37(53)31-21-26-20-27(12-14-29(26)44-31)40(41,42)59(56,57)58/h2-12,14,20-21,28,30,32-33,35,44H,13,15-19,22H2,1H3,(H2,43,51)(H,45,54)(H,46,53)(H,47,52)(H2,56,57,58)/t28-,30+,32+,33+/m1/s1
Definition date:2019-01-07
Last modified:2019-11-29
Release date:2019-12-04
Identifier:[(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
N1W
N1W
Name:(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
Formula:C30 H41 N7 O7
SMILES:CC(C)[CH](NC(=O)[CH](NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH](CO)Cc3ccccc3
InChi:InChI=1S/C30H41N7O7/c1-17(2)24(26(40)33-20(16-38)14-18-6-4-3-5-7-18)36-27(41)25(22-12-13-32-29(31)34-22)37-30(44)35-23(28(42)43)15-19-8-10-21(39)11-9-19/h3-11,17,20,22-25,38-39H,12-16H2,1-2H3,(H,33,40)(H,36,41)(H,42,43)(H3,31,32,34)(H2,35,37,44)/t20-,22-,23+,24-,25-/m0/s1
Definition date:2019-11-06
Last modified:2019-11-29
Release date:2019-12-04
Identifier:(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
OY4
OY4
Name:N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide
Formula:C15 H16 F N5 O3 S
SMILES:c2(ccc1CC(c1c2)NC(=N/O)c3nonc3SCCNC(C)=O)F
InChi:InChI=1S/C15H16FN5O3S/c1-8(22)17-4-5-25-15-13(20-24-21-15)14(19-23)18-12-6-9-2-3-10(16)7-11(9)12/h2-3,7,12,23H,4-6H2,1H3,(H,17,22)(H,18,19)/t12-/m0/s1
Definition date:2019-07-18
Last modified:2019-11-29
Release date:2019-12-04
Identifier:N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide
LFE
LFE
Name:~{N}-[(5~{S},7~{R},11~{S},23~{S})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{S},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
Formula:C54 H70 Cl N9 O11 S2
SMILES:Cc1sc2n3c(C)nnc3[CH](CC(=O)N[CH]4COCCOCCOCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7scnc7C)C(C)(C)C)N[CH](c8ccc(Cl)cc8)c2c1C
InChi:InChI=1S/C54H70ClN9O11S2/c1-31-33(3)77-53-46(31)47(35-10-12-38(55)13-11-35)59-41(50-62-61-34(4)64(50)53)24-44(66)58-39-27-72-17-14-70-16-19-74-29-45(67)60-49(54(5,6)7)52(69)63-26-40(65)23-42(63)51(68)56-25-37-9-8-36(48-32(2)57-30-76-48)22-43(37)75-21-20-71-15-18-73-28-39/h8-13,22,30,39-42,47,49,59,65H,14-21,23-29H2,1-7H3,(H,56,68)(H,58,66)(H,60,67)/t39-,40+,41-,42-,47-,49+/m0/s1
Definition date:2019-08-12
Last modified:2019-11-29
Release date:2019-12-04
Identifier:~{N}-[(5~{S},7~{R},11~{S},23~{S})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{S},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
LNJ
LNJ
Name:4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
Formula:C17 H16 N2 O S
SMILES:c2cc(c1nc(sc1)N)ccc2Cc3ccc(cc3)OC
InChi:InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/h2-9,11H,10H2,1H3,(H2,18,19)
Definition date:2019-03-06
Last modified:2019-11-29
Release date:2019-12-04
Identifier:4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
LUW
LUW
Name:4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide
Formula:C21 H17 N5 O3
SMILES:Oc1nc(ncc1C(=O)NCc2ccc(Oc3ccccc3)cc2)n4cccn4
InChi:InChI=1S/C21H17N5O3/c27-19(18-14-23-21(25-20(18)28)26-12-4-11-24-26)22-13-15-7-9-17(10-8-15)29-16-5-2-1-3-6-16/h1-12,14H,13H2,(H,22,27)(H,23,25,28)
Definition date:2019-09-10
Last modified:2019-11-29
Release date:2019-12-04
Identifier:4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide
M5W
M5W
Name:5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide
Formula:C15 H20 N4 O2
SMILES:COc1cccc(c1)c2nn(c(N)c2C(N)=O)C(C)(C)C
InChi:InChI=1S/C15H20N4O2/c1-15(2,3)19-13(16)11(14(17)20)12(18-19)9-6-5-7-10(8-9)21-4/h5-8H,16H2,1-4H3,(H2,17,20)
Definition date:2019-10-03
Last modified:2019-11-29
Release date:2019-12-04
Identifier:5-azanyl-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide
DQ0
DQ0
Name:4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid
Formula:C21 H21 Cl N4 O4
SMILES:Nc1nc(N)c(c(COc2cccc(OCCCC(O)=O)c2)n1)c3cccc(Cl)c3
InChi:InChI=1S/C21H21ClN4O4/c22-14-5-1-4-13(10-14)19-17(25-21(24)26-20(19)23)12-30-16-7-2-6-15(11-16)29-9-3-8-18(27)28/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H4,23,24,25,26)
Definition date:2019-08-21
Last modified:2019-11-29
Release date:2019-12-04
Identifier:4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid
DQ3
DQ3
Name:5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine
Formula:C19 H19 Cl N4 O
SMILES:Nc1nc(N)c(c(CCCOc2ccccc2)n1)c3cccc(Cl)c3
InChi:InChI=1S/C19H19ClN4O/c20-14-7-4-6-13(12-14)17-16(23-19(22)24-18(17)21)10-5-11-25-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H4,21,22,23,24)
Definition date:2019-08-21
Last modified:2019-11-29
Release date:2019-12-04
Identifier:5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine
DQ9
DQ9
Name:2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid
Formula:C21 H21 Cl N4 O4
SMILES:Nc1nc(N)c(c(CCCOc2cccc(OCC(O)=O)c2)n1)c3cccc(Cl)c3
InChi:InChI=1S/C21H21ClN4O4/c22-14-5-1-4-13(10-14)19-17(25-21(24)26-20(19)23)8-3-9-29-15-6-2-7-16(11-15)30-12-18(27)28/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H4,23,24,25,26)
Definition date:2019-08-21
Last modified:2019-11-29
Release date:2019-12-04
Identifier:2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid
DQF
DQF
Name:4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid
Formula:C23 H25 Cl N4 O4
SMILES:Nc1nc(N)c(c(CCCOc2cccc(OCCCC(O)=O)c2)n1)c3cccc(Cl)c3
InChi:InChI=1S/C23H25ClN4O4/c24-16-6-1-5-15(13-16)21-19(27-23(26)28-22(21)25)9-3-11-31-17-7-2-8-18(14-17)32-12-4-10-20(29)30/h1-2,5-8,13-14H,3-4,9-12H2,(H,29,30)(H4,25,26,27,28)
Definition date:2019-08-21
Last modified:2019-11-29
Release date:2019-12-04
Identifier:4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid
OE4
OE4
Name:N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide
Formula:C24 H20 N4 O3
SMILES:c1cncc(c1)C5CN(C(Nc2ccc(cc2)CN3C(c4c(C3=O)cccc4)=O)=O)C5
InChi:InChI=1S/C24H20N4O3/c29-22-20-5-1-2-6-21(20)23(30)28(22)13-16-7-9-19(10-8-16)26-24(31)27-14-18(15-27)17-4-3-11-25-12-17/h1-12,18H,13-15H2,(H,26,31)
Definition date:2019-06-21
Last modified:2019-11-29
Release date:2019-12-04
Identifier:N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide
Q0M
Q0M
Name:3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide
Formula:C19 H17 Br Cl N3 O5 S
SMILES:c3(NS(c1cc(cc(c1O)Cl)Br)(=O)=O)c(c(C(NC)=O)cc(C2(CCC2)C#N)c3)O
InChi:InChI=1S/C19H17BrClN3O5S/c1-23-18(27)12-5-10(19(9-22)3-2-4-19)6-14(16(12)25)24-30(28,29)15-8-11(20)7-13(21)17(15)26/h5-8,24-26H,2-4H2,1H3,(H,23,27)
Definition date:2019-09-03
Last modified:2019-11-29
Release date:2019-12-04
Identifier:3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide
Q0S
Q0S
Name:5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide
Formula:C13 H11 Br F5 N O5 S3
SMILES:c1(cc(ccc1O)Br)S(Nc2cc(S(F)(F)(F)(F)F)cc(c2)S(C)(=O)=O)(=O)=O
InChi:InChI=1S/C13H11BrF5NO5S3/c1-26(22,23)10-5-9(6-11(7-10)28(15,16,17,18)19)20-27(24,25)13-4-8(14)2-3-12(13)21/h2-7,20-21H,1H3
Definition date:2019-09-03
Last modified:2019-11-29
Release date:2019-12-04
Identifier:5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide
Q0Y
Q0Y
Name:5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide
Formula:C13 H11 Br Cl N O4 S
SMILES:c1c(Br)ccc(c1S(Nc2cc(ccc2O)Cl)(=O)=O)OC
InChi:InChI=1S/C13H11BrClNO4S/c1-20-12-5-2-8(14)6-13(12)21(18,19)16-10-7-9(15)3-4-11(10)17/h2-7,16-17H,1H3
Definition date:2019-09-03
Last modified:2019-11-29
Release date:2019-12-04
Identifier:5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide
Q1G
Q1G
Name:5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide
Formula:C17 H15 Br N2 O4 S
SMILES:c1(c(ccc(c1)Br)O)S(Nc3cc(C2(CCC2)C#N)ccc3O)(=O)=O
InChi:InChI=1S/C17H15BrN2O4S/c18-12-3-5-15(22)16(9-12)25(23,24)20-13-8-11(2-4-14(13)21)17(10-19)6-1-7-17/h2-5,8-9,20-22H,1,6-7H2
Definition date:2019-09-06
Last modified:2019-11-29
Release date:2019-12-04
Identifier:5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide
Q1J
Q1J
Name:5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide
Formula:C19 H16 Br N O4 S
SMILES:c1(ccc(c(c1)S(Nc3c(ccc(c2ccccc2)c3)O)(=O)=O)OC)Br
InChi:InChI=1S/C19H16BrNO4S/c1-25-18-10-8-15(20)12-19(18)26(23,24)21-16-11-14(7-9-17(16)22)13-5-3-2-4-6-13/h2-12,21-22H,1H3
Definition date:2019-09-06
Last modified:2019-11-29
Release date:2019-12-04
Identifier:5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide
Q1M
Q1M
Name:3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid
Formula:C14 H11 Br Cl N O6 S
SMILES:c1c(cc(C(=O)O)c(c1NS(c2c(OC)ccc(c2)Br)(=O)=O)O)Cl
InChi:InChI=1S/C14H11BrClNO6S/c1-23-11-3-2-7(15)4-12(11)24(21,22)17-10-6-8(16)5-9(13(10)18)14(19)20/h2-6,17-18H,1H3,(H,19,20)
Definition date:2019-09-06
Last modified:2019-11-29
Release date:2019-12-04
Identifier:3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid
Q1P
Q1P
Name:3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid
Formula:C16 H13 Br F N O6 S
SMILES:c2(C1CC1)cc(c(c(C(O)=O)c2F)O)NS(=O)(=O)c3cc(ccc3O)Br
InChi:InChI=1S/C16H13BrFNO6S/c17-8-3-4-11(20)12(5-8)26(24,25)19-10-6-9(7-1-2-7)14(18)13(15(10)21)16(22)23/h3-7,19-21H,1-2H2,(H,22,23)
Definition date:2019-09-06
Last modified:2019-11-29
Release date:2019-12-04
Identifier:3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid

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數據於2024-07-17公開中

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