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H9L
H9L
表記:4-methylsulfanyl-2-oxidanyl-butanoic acid
組成式:C5 H10 O3 S
SMILES:CSCC[CH](O)C(O)=O
InChi:InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
定義日:2020-12-07
最終更新日:2022-05-27
公開日:2022-06-01
識別子（ID）:4-methylsulfanyl-2-oxidanyl-butanoic acid
U6K
U6K
表記:(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
組成式:C20 H23 N5 O4
SMILES:N[CH]1N=CN[CH]2[CH]1C=CN2[CH]3O[CH](COc4ccc5cccnc5c4)[CH](O)[CH]3O
InChi:InChI=1S/C20H23N5O4/c21-18-13-5-7-25(19(13)24-10-23-18)20-17(27)16(26)15(29-20)9-28-12-4-3-11-2-1-6-22-14(11)8-12/h1-8,10,13,15-20,26-27H,9,21H2,(H,23,24)/t13-,15+,16+,17+,18+,19-,20+/m0/s1
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
8UQ
8UQ
表記:8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide
組成式:C33 H42 Cl N3 O3
SMILES:COc1cc(CNC(=O)CCCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](C)C[CH](C5)c24)ccc1O
InChi:InChI=1S/C33H42ClN3O3/c1-21-14-23-16-24(15-21)32-28(17-23)37-27-19-25(34)10-11-26(27)33(32)35-13-7-5-3-4-6-8-31(39)36-20-22-9-12-29(38)30(18-22)40-2/h9-12,18-19,21,23-24,38H,3-8,13-17,20H2,1-2H3,(H,35,37)(H,36,39)/t21-,23-,24+/m0/s1
定義日:2017-03-09
最終更新日:2021-10-01
公開日:2021-10-06
4Y4
4Y4
表記:1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
組成式:C21 H27 N O3
SMILES:CCCNC[CH](O)COc1ccccc1C(=O)CCc2ccccc2
InChi:InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m1/s1
定義日:2021-08-10
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:1-[2-[(2~{R})-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
UGK
UGK
表記:8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
組成式:C23 H21 F N6 O3
SMILES:COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C
InChi:InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3
定義日:2021-02-16
最終更新日:2021-08-27
公開日:2021-09-01
識別子（ID）:8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
H43
H43
表記:2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid
組成式:C24 H26 N2 O2
SMILES:C[CH](N[CH]1CCN(C1)c2ccc(CC(O)=O)cc2)c3cccc4ccccc34
InChi:InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
別名:Evocalcet
定義日:2020-11-02
最終更新日:2021-06-11
公開日:2021-06-16
識別子（ID）:2-[4-[(3~{S})-3-[[(1~{R})-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid
QH1
QH1
表記:N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
組成式:C28 H31 F2 N7 O3 S
SMILES:O=C(C)N1CCC(CC1)N(C)c1ccc2n(cc(c3cncnc3)c2n1)c1c(F)ccc(NS(=O)(=O)CCC)c1F
InChi:InChI=1S/C28H31F2N7O3S/c1-4-13-41(39,40)34-23-6-5-22(29)28(26(23)30)37-16-21(19-14-31-17-32-15-19)27-24(37)7-8-25(33-27)35(3)20-9-11-36(12-10-20)18(2)38/h5-8,14-17,20,34H,4,9-13H2,1-3H3
定義日:2019-10-31
最終更新日:2021-03-15
公開日:2020-06-03
識別子（ID）:N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
FCN
FCN
表記:FOSFOMYCIN
組成式:C3 H7 O4 P
SMILES:O=P(O)(O)C1OC1C
InChi:InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
別名:1,2-EPOXYPROPYLPHOSPHONIC ACID
定義日:1999-07-08
最終更新日:2021-03-13
識別子（ID）:[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
SU1
SU1
表記:3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
組成式:C17 H16 N2 O3
SMILES:O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C
InChi:InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
別名:SU5402
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
UW5
UW5
表記:1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
組成式:C22 H23 N5 O2
SMILES:OC(Cn2c1ncnc(c1c(n2)c3ccc4c(c3)ccc(c4)OC5CC5)N)(C)C
InChi:InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25)
別名:UW1553
定義日:2017-10-30
最終更新日:2021-03-01
公開日:2017-12-06
識別子（ID）:1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
B1R
B1R
表記:[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
組成式:C20 H16 N2 O2 Ru S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)C3%10C%12=C%11C6=C3[Ru]4564789%10C5=C4C9C8=C57
InChi:InChI=1S/C15H15N2O2S.C5H.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14
別名:biotinylruthenocene
定義日:2012-12-06
最終更新日:2021-03-01
公開日:2013-08-14
識別子（ID）:[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
2RC
2RC
表記:[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
組成式:C23 H26 F N6 O9 P
SMILES:Fc1cnc(nc1Nc2nc3N(C(=O)C(Oc3cc2)(C)C)COP(=O)(O)O)Nc4cc(OC)c(OC)c(OC)c4
InChi:InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)
別名:Fostamatinib
定義日:2014-01-13
最終更新日:2021-03-01
公開日:2014-03-05
識別子（ID）:[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
NIZ
NIZ
表記:pyridine-4-carbohydrazide
組成式:C6 H7 N3 O
SMILES:O=C(NN)c1ccncc1
InChi:InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
別名:isonicotinic acid hydrazid
定義日:2010-05-21
最終更新日:2021-03-01
識別子（ID）:pyridine-4-carbohydrazide
NSL
NSL
表記:4-Hydroxyazobenzene
組成式:C12 H10 N2 O
SMILES:c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
別名:4-[(E)-phenyldiazenyl]phenol
定義日:2019-04-15
最終更新日:2021-03-01
公開日:2019-07-24
識別子（ID）:4-[(E)-phenyldiazenyl]phenol
IJZ
IJZ
表記:5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
組成式:C5 H5 N3 O4
SMILES:NC1=C(NC(=O)NC1=O)C(O)=O
InChi:InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)
別名:5-aminoorotic acid
定義日:2010-04-15
最終更新日:2021-03-01
MF5
MF5
表記:1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine
組成式:C14 H10 F5 N2 O
SMILES:Fc1c(F)c(F)c(F)c(F)c1CON=Cc2[n+](cccc2)C
InChi:InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+
別名:methyl2-(pentafluorobenzyloxyimino)pyridinium
定義日:2012-07-04
最終更新日:2021-03-01
公開日:2012-08-24
識別子（ID）:1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium
QTE
QTE
表記:methylcyclohexane
組成式:C7 H14
SMILES:CC1CCCCC1
InChi:InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
定義日:2020-08-06
最終更新日:2020-11-13
公開日:2020-11-18
識別子（ID）:methylcyclohexane
UEY
UEY
表記:7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
組成式:C19 H17 N5
SMILES:c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3)c4
InChi:InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1
定義日:2020-05-14
最終更新日:2020-10-09
公開日:2020-10-14
識別子（ID）:7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
RVG
RVG
表記:6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose
組成式:C8 H16 O5
SMILES:OC1C(OC)C(OC)C(OC1C)O
InChi:InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m1/s1
定義日:2020-02-26
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose
DEG
DEG
表記:butyl alpha-D-mannopyranoside
組成式:C10 H20 O6
SMILES:O(CCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9+,10+/m1/s1
別名:BUTYL-A-D-MANNOSE
定義日:2004-02-05
最終更新日:2020-07-17
識別子（ID）:butyl alpha-D-mannopyranoside
GL6
GL6
表記:N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine
組成式:C8 H18 N O8 P
SMILES:O=P(OC)(OC)NC1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C8H18NO8P/c1-15-18(14,16-2)9-8-7(13)6(12)5(11)4(3-10)17-8/h4-8,10-13H,3H2,1-2H3,(H,9,14)/t4-,5-,6+,7-,8-/m1/s1
別名:(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER
定義日:2004-09-06
最終更新日:2020-07-17
識別子（ID）:N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine
AZC
AZC
表記:N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
組成式:C9 H16 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C
InChi:InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
別名:N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA
定義日:2001-09-21
最終更新日:2020-07-17
識別子（ID）:N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
NG1
NG1
表記:2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
組成式:C8 H16 N O9 P
SMILES:O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O
InChi:InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
別名:N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE
定義日:2005-06-27
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
NG6
NG6
表記:2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose
組成式:C8 H15 N O9 S
SMILES:O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
別名:N-ACETYL-D-GALACTOSAMINE 6-SULFATE
定義日:2000-12-12
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-galactopyranose
C3X
C3X
表記:(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside
組成式:C8 H14 O6
SMILES:O(CC1OC1)C2OCC(O)C(O)C2O
InChi:InChI=1S/C8H14O6/c9-5-3-14-8(7(11)6(5)10)13-2-4-1-12-4/h4-11H,1-3H2/t4-,5-,6+,7-,8-/m1/s1
別名:2,3-EPOXYPROPYL-BETA-D-XYLOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside

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