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O9A
O9A
表記:5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
組成式:C20 H19 F N2 O4 S
SMILES:c3(C(=O)NNS(c1cc2c(cc1)cccc2)(=O)=O)cc(OCC)cc(c3F)C
InChi:InChI=1S/C20H19FN2O4S/c1-3-27-16-10-13(2)19(21)18(12-16)20(24)22-23-28(25,26)17-9-8-14-6-4-5-7-15(14)11-17/h4-12,23H,3H2,1-2H3,(H,22,24)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
O9D
O9D
表記:5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
組成式:C16 H17 F N2 O4 S
SMILES:c2(C(=O)NNS(c1ccccc1)(=O)=O)cc(OCC)cc(c2F)C
InChi:InChI=1S/C16H17FN2O4S/c1-3-23-12-9-11(2)15(17)14(10-12)16(20)18-19-24(21,22)13-7-5-4-6-8-13/h4-10,19H,3H2,1-2H3,(H,18,20)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
O9G
O9G
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide
組成式:C17 H15 F N4 O3 S
SMILES:c3n(c1cc(c(c(C)c1)F)C(=O)NNS(c2ccccc2)(=O)=O)ncc3
InChi:InChI=1S/C17H15FN4O3S/c1-12-10-13(22-9-5-8-19-22)11-15(16(12)18)17(23)20-21-26(24,25)14-6-3-2-4-7-14/h2-11,21H,1H3,(H,20,23)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide
O9J
O9J
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
組成式:C19 H16 F N3 O3 S
SMILES:c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)c3
InChi:InChI=1S/C19H16FN3O3S/c1-13-11-14(17-9-5-6-10-21-17)12-16(18(13)20)19(24)22-23-27(25,26)15-7-3-2-4-8-15/h2-12,23H,1H3,(H,22,24)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
O9M
O9M
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
組成式:C18 H15 F N4 O3 S
SMILES:c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)n3
InChi:InChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
O9P
O9P
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
組成式:C17 H17 F N2 O4 S
SMILES:[C@H](=C)COc2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F
InChi:InChI=1S/C17H17FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h3-8,10-11,20H,1,9H2,2H3,(H,19,21)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
LSY
LSY
表記:N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide
組成式:C6 H14 N4 O2
SMILES:CN(C)C(NNC(=O)N(C)C)=O
InChi:InChI=1S/C6H14N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3,(H,7,11)(H,8,12)
定義日:2019-03-13
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide
O9S
O9S
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
組成式:C17 H19 F N2 O4 S
SMILES:C(=O)(c1c(c(cc(c1)OC(C)C)C)F)NNS(c2ccccc2)(=O)=O
InChi:InChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
O9V
O9V
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
組成式:C17 H19 F N2 O4 S
SMILES:C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2ccccc2)(=O)=O
InChi:InChI=1S/C17H19FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
O9Y
O9Y
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
組成式:C16 H14 F N5 O3 S
SMILES:c3(S(NNC(c1c(c(C)cc(c1)n2nccn2)F)=O)(=O)=O)ccccc3
InChi:InChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
LHT
LHT
表記:hydrolysed ertapenem
組成式:C22 H27 N3 O8 S
SMILES:C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O)C(O)=O
InChi:InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,23,25-26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15-,16-/m1/s1
定義日:2019-08-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:(2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
KQ8
KQ8
表記:(2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
組成式:C15 H26 N4 O7 S2
SMILES:C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=O
InChi:InChI=1S/C15H26N4O7S2/c1-6-11(10(7(2)20)14(21)22)19-12(15(23)24)13(6)27-9-3-8(17-5-9)4-18-28(16,25)26/h6-11,17-20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26)/t6-,7-,8+,9+,10-,11+/m1/s1
定義日:2019-06-14
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:(2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
LW5
LW5
表記:4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
組成式:C23 H27 F N2 O4
SMILES:C[CH](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[CH]2CC[CH](O)CC2)c3ccccc3
InChi:InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1
定義日:2019-09-23
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
LWB
LWB
表記:4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
組成式:C30 H33 N5 O3
SMILES:COCc1nc2cnc3cc(c(OC[CH]4CCNC4)cc3c2n1[CH](C)c5ccccc5)c6c(C)onc6C
InChi:InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1
定義日:2019-09-23
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
TDJ
TDJ
表記:[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
組成式:C22 H13 N2 O6 Ru S
SMILES:C/%12SC(C(C(=O)O)NC(=O)CCC(C9%10C8C7C%11[Ru]6432789(C1C5C4C3C12)C%10%11)=O)N=C(C%12=C)C(=O)O
InChi:InChI=1S/C17H17N2O6S.C5H5.Ru/c1-9-8-26-15(19-13(9)16(22)23)14(17(24)25)18-12(21)7-6-11(20)10-4-2-3-5-10
定義日:2020-03-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
LN8
LN8
表記:Kiteplatin
組成式:C6 H14 Cl2 N2 Pt
SMILES:NC1CCC(N)CC1.Cl[Pt]Cl
InChi:InChI=1S/C6H14N2.2ClH.Pt/c7-5-1-2-6(8)4-3-5
定義日:2019-08-28
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:3,3-bis(chloranyl)-2,4-diazonia-3$l^{4}-platinabicyclo[3.2.2]nonane
OJQ
OJQ
表記:[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
組成式:C11 H15 N3 O7 P
SMILES:Cc1ncc(CO[P](O)(O)=O)c(C[NH2+]c2conc2O)c1O
InChi:InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)/p+1
定義日:2020-03-16
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
RU4
RU4
表記:4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
組成式:C11 H11 N3 O2 S
SMILES:N(C(Oc1ccc(cc1)c2nnsc2)=O)CC
InChi:InChI=1S/C11H11N3O2S/c1-2-12-11(15)16-9-5-3-8(4-6-9)10-7-17-14-13-10/h3-7H,2H2,1H3,(H,12,15)
定義日:2020-02-25
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
8XY
8XY
表記:6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
組成式:C17 H11 Br N2 O S
SMILES:c4c3cc(C(Nc1cccc2nccc12)=O)sc3cc(Br)c4
InChi:InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
定義日:2017-03-18
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
C7
C7
表記:N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
組成式:C17 H15 F3 N2 O3
SMILES:O=C(NO)CCc1c(cccc1)NC(c2cc(ccc2)C(F)(F)F)=O
InChi:InChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-3-5-12(10-13)16(24)21-14-7-2-1-4-11(14)8-9-15(23)22-25/h1-7,10,25H,8-9H2,(H,21,24)(H,22,23)
定義日:2019-03-27
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
8JF
8JF
表記:N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
組成式:C18 H17 N3 O
SMILES:c2cnc1cc(NC(=O)C)nc(c1c2)c3c(C)c(C)ccc3
InChi:InChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22)
定義日:2019-10-25
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
DKU
DKU
表記:3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
組成式:C25 H20 N2 O2
SMILES:Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5
InChi:InChI=1S/C25H20N2O2/c1-17-11-13-22-21(15-17)26-24(27(22)19-7-3-2-4-8-19)14-12-18-16-29-23-10-6-5-9-20(23)25(18)28/h2-11,13,15-16H,12,14H2,1H3
定義日:2019-08-09
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
DL0
DL0
表記:6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
組成式:C25 H19 Cl N2 O2
SMILES:Cc1ccc2n(c(CCC3=COc4ccc(Cl)cc4C3=O)nc2c1)c5ccccc5
InChi:InChI=1S/C25H19ClN2O2/c1-16-7-10-22-21(13-16)27-24(28(22)19-5-3-2-4-6-19)12-8-17-15-30-23-11-9-18(26)14-20(23)25(17)29/h2-7,9-11,13-15H,8,12H2,1H3
定義日:2019-08-09
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
DU9
DU9
表記:6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
組成式:C27 H35 F N6 O3
SMILES:C[CH]1CN(C[CH](C)O1)c2cc(F)c3c(c2)N(C)C(=O)C34CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5
InChi:InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+
定義日:2019-08-28
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:6-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
DYR
DYR
表記:2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide
組成式:C21 H14 Cl N3 O
SMILES:Clc1cccc(C#N)c1NC(=O)Cn2c3ccccc3c4ccccc24
InChi:InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)
定義日:2019-09-20
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-carbazol-9-yl-~{N}-(2-chloranyl-6-cyano-phenyl)ethanamide

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