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ZSF
ZSF
表記:adenosine 5'-heptaphosphate
組成式:C10 H20 N5 O25 P7
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C10H20N5O25P7/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(34-10)1-33-42(21,22)36-44(25,26)38-46(29,30)40-47(31,32)39-45(27,28)37-43(23,24)35-41(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:2023-03-28
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine
ZUJ
ZUJ
表記:2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
組成式:C17 H16 N2 O6 S
SMILES:NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O)Oc2c1
InChi:InChI=1S/C17H16N2O6S/c18-26(22,23)14-6-3-12(4-7-14)19-16(20)10-24-13-5-1-11-2-8-17(21)25-15(11)9-13/h1,3-7,9H,2,8,10H2,(H,19,20)(H2,18,22,23)
別名:coumarin benzene sulfonamide SG1-51
定義日:2023-04-04
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
ZUS
ZUS
表記:2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
組成式:C18 H16 N2 O6 S
SMILES:NS(=O)(=O)c1ccc(cc1)CNC(=O)COc1ccc2C=CC(=O)Oc2c1
InChi:InChI=1S/C18H16N2O6S/c19-27(23,24)15-6-1-12(2-7-15)10-20-17(21)11-25-14-5-3-13-4-8-18(22)26-16(13)9-14/h1-9H,10-11H2,(H,20,21)(H2,19,23,24)
定義日:2023-04-04
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
ZV7
ZV7
表記:2-chloro-N-(3-oxopropyl)acetohydrazide
組成式:C5 H9 Cl N2 O2
SMILES:ClCC(=O)N(N)CCC=O
InChi:InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2
定義日:2023-04-06
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-chloro-N-(3-oxopropyl)acetohydrazide
XWO
XWO
表記:N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
組成式:C28 H34 N6 O2
SMILES:Cn1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:InChI=1S/C28H34N6O2/c1-19-7-8-26(36-10-9-32(3)4)14-27(19)28(35)31-20(2)21-11-22(24-15-29-33(5)17-24)13-23(12-21)25-16-30-34(6)18-25/h7-8,11-18,20H,9-10H2,1-6H3,(H,31,35)
定義日:2023-11-14
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
YEE
YEE
表記:2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide
組成式:C27 H31 F N4 O2
SMILES:COc1cc(cc(F)c1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCN(CC4)C(C)C
InChi:InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)
定義日:2023-12-03
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide
A1AEQ
A1AEQ
表記:(2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal
組成式:C16 H17 N O S
SMILES:C/C(=CC=O)c1ccc(s1)c1ccc(cc1)N(C)C
InChi:InChI=1S/C16H17NOS/c1-12(10-11-18)15-8-9-16(19-15)13-4-6-14(7-5-13)17(2)3/h4-11H,1-3H3/b12-10+
定義日:2024-02-13
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal
A1H2K
A1H2K
表記:7.10 monoacylglycerol (S-form)
組成式:C20 H38 O4
SMILES:CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
InChi:InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1
別名:[(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate
定義日:2024-01-19
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:[(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-heptadec-7-enoate
OBX
OBX
表記:[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
組成式:C14 H27 N7 O7 P
SMILES:NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/p+1/t8-,10-,11-,12-/m1/s1
別名:agmatidine
定義日:2023-01-30
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MKX
MKX
表記:[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
組成式:C15 H19 N6 O10 P
SMILES:C[CH](O)[CH]1NC(=O)N(C1=O)c2ncnc3n(cnc23)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O
InChi:InChI=1S/C15H19N6O10P/c1-5(22)7-13(25)21(15(26)19-7)12-8-11(16-3-17-12)20(4-18-8)14-10(24)9(23)6(31-14)2-30-32(27,28)29/h3-7,9-10,14,22-24H,2H2,1H3,(H,19,26)(H2,27,28,29)/t5-,6-,7+,9-,10-,14-/m1/s1
別名:cyclic N6-threonylcarbamoyladenosine 5'-monophosphate
定義日:2022-12-26
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
Q2F
Q2F
表記:~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide
組成式:C26 H34 F N5 O6 S
SMILES:CCn1cnc2N(C[CH]3CC[CH](CC3)CN[S](=O)(=O)c4ccc(OC5CCOCC5)c(F)c4)C(=O)NC(=O)c12
InChi:InChI=1S/C26H34FN5O6S/c1-2-31-16-28-24-23(31)25(33)30-26(34)32(24)15-18-5-3-17(4-6-18)14-29-39(35,36)20-7-8-22(21(27)13-20)38-19-9-11-37-12-10-19/h7-8,13,16-19,29H,2-6,9-12,14-15H2,1H3,(H,30,33,34)/t17-,18-
定義日:2022-10-11
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide
BYW
BYW
表記:2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide
組成式:C18 H17 F3 N2 O4
SMILES:Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)C(C)(C)O)C(=O)NO
InChi:InChI=1S/C18H17F3N2O4/c1-18(2,26)17(25)22-15(16(24)23-27)10-5-3-9(4-6-10)11-7-12(19)14(21)13(20)8-11/h3-8,15,26-27H,1-2H3,(H,22,25)(H,23,24)/t15-/m1/s1
定義日:2023-04-24
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide
VOB
VOB
表記:~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine
組成式:C12 H18 N2 O3
SMILES:CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O
InChi:InChI=1S/C12H18N2O3/c1-3-13(4-2)9-10-17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,9-10H2,1-2H3/q+4
定義日:2023-03-21
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine
VOF
VOF
表記:(2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone
組成式:C10 H8 F2 N3 O
SMILES:F[CH](n1c[n](F)cn1)C(=O)c2ccccc2
InChi:InChI=1S/C10H8F2N3O/c11-10(15-7-14(12)6-13-15)9(16)8-4-2-1-3-5-8/h1-7,10H/t10-/m0/s1
定義日:2023-03-21
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone
RY3
RY3
表記:(2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol
組成式:C12 H15 N O7
SMILES:C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11+,12-/m0/s1
定義日:2023-04-04
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(2~{S},3~{R},4~{R},5~{R},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol
W5F
W5F
表記:ALX5407
組成式:C24 H24 F N O3
SMILES:CN(CC[CH](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O
InChi:InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
別名:2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid
定義日:2023-09-20
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid
W5O
W5O
表記:SSR504734
組成式:C20 H20 Cl F3 N2 O
SMILES:FC(F)(F)c1cccc(C(=O)N[CH]([CH]2CCCCN2)c3ccccc3)c1Cl
InChi:InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m1/s1
別名:2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide
定義日:2023-09-20
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide
W5X
W5X
表記:PF-3463275
組成式:C19 H22 Cl F N4 O
SMILES:CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4
InChi:InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15-
別名:~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
定義日:2023-09-20
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
ILR
ILR
表記:Spiroimine (+)-4 R
組成式:C13 H21 N O2
SMILES:CC1=NCCC[C]12CCCCC23OCCO3
InChi:InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m1/s1
別名:(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
定義日:2023-08-01
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
WKE
WKE
表記:(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide
組成式:C11 H20 N2 O7
SMILES:C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO
InChi:InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1
定義日:2023-05-17
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide
WSP
WSP
表記:Spiroimine (-)-4 S
組成式:C13 H21 N O2
SMILES:CC1=NCCC[C]12CCCCC23OCCO3
InChi:InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m0/s1
別名:(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
定義日:2023-10-11
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
WY0
WY0
表記:(5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione
組成式:C20 H19 N3 O4
SMILES:CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2
InChi:InChI=1S/C20H19N3O4/c1-2-13-18(24)23(19(25)22-13)12-6-7-16(21-10-12)27-15-5-3-4-14-17(15)20(8-9-20)11-26-14/h3-7,10,13H,2,8-9,11H2,1H3,(H,22,25)/t13-/m1/s1
定義日:2023-10-17
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(5~{R})-5-ethyl-3-(6-spiro[2~{H}-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione
WY9
WY9
表記:(5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione
組成式:C18 H19 N3 O4
SMILES:CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2
InChi:InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1
定義日:2023-10-17
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(5~{R})-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione
X8Q
X8Q
表記:[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
組成式:C12 H17 N2 O4 P
SMILES:CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12
InChi:InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
定義日:2023-10-25
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
XB5
XB5
表記:5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide
組成式:C29 H36 N6 O2
SMILES:CCn1ccc(n1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:InChI=1S/C29H36N6O2/c1-7-35-11-10-28(32-35)24-15-22(14-23(16-24)25-18-30-34(6)19-25)21(3)31-29(36)27-17-26(9-8-20(27)2)37-13-12-33(4)5/h8-11,14-19,21H,7,12-13H2,1-6H3,(H,31,36)
定義日:2023-10-26
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide

222926

件を2024-07-24に公開中

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