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9EG
9EG
表記:N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea
組成式:C13 H9 Cl3 N2 O
SMILES:c2c(NC(Nc1ccc(Cl)cc1)=O)ccc(c2Cl)Cl
InChi:InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
定義日:2017-04-26
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea
CG7
CG7
表記:5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
組成式:C26 H18 Cl N3 O4
SMILES:OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O
InChi:InChI=1S/C26H18ClN3O4/c1-14-6-11-17(12-19(14)25(32)33)34-26-28-21-13-20(27)23(29-24(21)30-26)16-9-7-15(8-10-16)18-4-2-3-5-22(18)31/h2-13,31H,1H3,(H,32,33)(H,28,29,30)
定義日:2017-09-21
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
CWY
CWY
表記:(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
組成式:C16 H18 N2 O6
SMILES:OC(C3(CC(NC(=O)c1cc(OC)ccc1)C2C(C(O)=O)C23)N)=O
InChi:InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1
定義日:2017-10-05
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
8P0
8P0
表記:pyrene
組成式:C16 H10
SMILES:c1cc4c3c(c1)ccc2cccc(c23)cc4
InChi:InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
定義日:2017-04-13
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:pyrene
8WG
8WG
表記:N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
組成式:C20 H22 Cl N7 O
SMILES:c1(Cl)ccc(cc1)Cn5cc(CN4CC(NC(c2nnn(c2)C3CC3)=O)C4)cn5
InChi:InChI=1S/C20H22ClN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29)
定義日:2017-03-10
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
SVF
SVF
表記:1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
組成式:C14 H18 F N O
SMILES:CC(=O)N1CCC(CC1)Cc2ccc(F)cc2
InChi:InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3
定義日:2017-06-21
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
XQB
XQB
表記:2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid
組成式:C7 H9 N O6
SMILES:O[CH](C[CH](C(O)=O)C(=N)C(O)=O)C=O
InChi:InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h2-4,8,10H,1H2,(H,11,12)(H,13,14)/b8-5-/t3-,4-/m0/s1
定義日:2017-11-29
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:(3~{S})-2-azanylidene-3-[(2~{S})-2-oxidanyl-3-oxidanylidene-propyl]butanedioic acid
DVW
DVW
表記:five-coordinate platinum(II) compound
組成式:C27 H31 N7 O5 Pt
SMILES:Cn1cncc1c2cn(nn2)C3OC(O)C(O)C(O)C3O.Cc4ccc5ccc6ccc(C)nc6c5n4.C7C[Pt]7
InChi:InChI=1S/C14H12N2.C11H15N5O5.C2H4.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
定義日:2018-02-02
最終更新日:2018-04-20
公開日:2018-04-25
DW5
DW5
表記:five-coordinate platinum(II) compound
組成式:C17 H15 N2 Pt
SMILES:CC.C[Pt].Cc1ccc2ccc3ccc(C)nc3c2n1
InChi:InChI=1S/C14H12N2.C2H4.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
定義日:2018-02-02
最終更新日:2018-04-20
公開日:2018-04-25
E7N
E7N
表記:~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide
組成式:C25 H31 N5 O3 S
SMILES:CCC[S](=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4
InChi:InChI=1S/C25H31N5O3S/c1-3-14-34(31,32)29-23-16-19(6-9-24(23)33-2)22-15-20(17-28-25(22)26)18-4-7-21(8-5-18)30-12-10-27-11-13-30/h4-9,15-17,27,29H,3,10-14H2,1-2H3,(H2,26,28)
定義日:2018-02-26
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide
E8Z
E8Z
表記:~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
組成式:C18 H15 N O3
SMILES:Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C
InChi:InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
定義日:2018-03-05
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
E92
E92
表記:~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
組成式:C16 H10 Cl N O3
SMILES:Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
InChi:InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
定義日:2018-03-05
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
E98
E98
表記:~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
組成式:C16 H10 F N O3
SMILES:Fc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
InChi:InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
定義日:2018-03-06
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
EJS
EJS
表記:(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide
組成式:C25 H25 F N8 O5
SMILES:O=C(C1C(NC(=O)NC1c3cc(C(NCc2onc(n2)COC)=O)c(F)cc3)C)Nc4ccc5c(c4)cnn5
InChi:InChI=1S/C25H25FN8O5/c1-12-21(24(36)30-15-4-6-18-14(7-15)9-28-33-18)22(32-25(37)29-12)13-3-5-17(26)16(8-13)23(35)27-10-20-31-19(11-38-2)34-39-20/h3-9,12,21-22H,10-11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H2,29,32,37)/t12-,21+,22-/m0/s1
定義日:2018-01-14
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide
EVM
EVM
表記:L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]
組成式:C11 H14 N2 O8 P
SMILES:C(O)(=O)[C-](N=Cc1c(c(ncc1COP(O)(O)=O)C)O)CO
InChi:InChI=1S/C11H14N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/q-1/b13-3+
定義日:2018-02-02
最終更新日:2018-04-20
公開日:2018-04-25
識別子（ID）:1-carboxy-2-hydroxy-1-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethan-1-ide
FSB
FSB
表記:N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
組成式:C14 H13 F N2 O3 S
SMILES:c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O
InChi:InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
定義日:2000-10-13
最終更新日:2018-04-18
識別子（ID）:N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide
JM1
JM1
表記:FLUORINATED PYRIDOCARBAZOLE CYCLOPENTADIENYL RU(CO) COMPLEX
組成式:C23 H12 F N3 O3 Ru
SMILES:Fc6cn%11[Ru]4132(C5C1C2C3C45)(C#[O+])n9c8c%11c(c6)c7c(C(NC7=O)=O)c8c%10c9cccc%10
InChi:InChI=1S/C17H8FN3O2.C5H5.CO.Ru/c18-7-5-9-12-13(17(23)21-16(12)22)11-8-3-1-2-4-10(8)20-15(11)14(9)19-6-7
定義日:2007-01-17
最終更新日:2018-04-18
識別子（ID）:carbonyl[(1,2,3,4,5-eta)-cyclopentadienyl](3-fluoro-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+)
F6B
F6B
表記:N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
組成式:C14 H12 F2 N2 O3 S
SMILES:c1cc(ccc1C(=O)NCc2c(cccc2F)F)S(N)(=O)=O
InChi:InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
定義日:2000-10-27
最終更新日:2018-04-18
識別子（ID）:N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide
FBS
FBS
表記:4-FLUOROBENZENESULFONAMIDE
組成式:C6 H6 F N O2 S
SMILES:c1(ccc(cc1)S(=O)(=O)N)F
InChi:InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
定義日:2001-04-13
最終更新日:2018-04-18
識別子（ID）:4-fluorobenzene-1-sulfonamide
FFB
FFB
表記:N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
組成式:C14 H9 F5 N2 O3 S
SMILES:c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(N)(=O)=O
InChi:InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
定義日:2000-10-30
最終更新日:2018-04-18
識別子（ID）:N-[(pentafluorophenyl)methyl]-4-sulfamoylbenzamide
1MA
1MA
表記:6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE
組成式:C11 H16 N5 O7 P
SMILES:P(=O)(O)(O)OCC1OC(C(C1O)O)n2cnc3C(=N)N(C)C=Nc23
InChi:InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9-/t5-,7-,8-,11-/m1/s1
定義日:1999-07-08
最終更新日:2018-04-17
識別子（ID）:1-methyladenosine 5'-(dihydrogen phosphate)
N2B
N2B
表記:ETHYLBENZENE
組成式:C8 H10
SMILES:c1(ccccc1)CC
InChi:InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
定義日:1999-07-08
最終更新日:2018-04-17
識別子（ID）:ethylbenzene
TH
TH
表記:THORIUM ION
組成式:Th
SMILES:[Th+4]
InChi:InChI=1S/Th/q+4
定義日:2015-04-23
最終更新日:2018-04-17
公開日:2015-08-05
識別子（ID）:thorium(4+)
4PU
4PU
表記:PLUTONIUM ION
組成式:Pu
SMILES:[Pu+4]
InChi:InChI=1S/Pu/q+4
定義日:2015-04-29
最終更新日:2018-04-17
公開日:2015-08-05
識別子（ID）:plutonium(4+)
FTU
FTU
表記:5-fluorotubercidin
組成式:C11 H13 F N4 O4
SMILES:Nc1ncnc2n(cc(F)c12)[CH]3O[CH](CO)[CH](O)[CH]3O
InChi:InChI=1S/C11H13FN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
定義日:2018-03-24
最終更新日:2018-04-13
公開日:2018-04-18
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-(4-azanyl-5-fluoranyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

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