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NWW
NWW
表記:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
組成式:C10 H12 N6 O4
SMILES:NC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1
定義日:2020-01-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
NWZ
NWZ
表記:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide
組成式:C15 H21 N7 O4
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NC4CCNCC4
InChi:InChI=1S/C15H21N7O4/c16-12-8-13(19-5-18-12)22(6-20-8)15-10(24)9(23)11(26-15)14(25)21-7-1-3-17-4-2-7/h5-7,9-11,15,17,23-24H,1-4H2,(H,21,25)(H2,16,18,19)/t9-,10+,11-,15+/m0/s1
定義日:2020-01-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide
NX8
NX8
表記:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide
組成式:C16 H23 N7 O4
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC4CCNCC4
InChi:InChI=1S/C16H23N7O4/c17-13-9-14(21-6-20-13)23(7-22-9)16-11(25)10(24)12(27-16)15(26)19-5-8-1-3-18-4-2-8/h6-8,10-12,16,18,24-25H,1-5H2,(H,19,26)(H2,17,20,21)/t10-,11+,12-,16+/m0/s1
定義日:2020-01-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide
NXB
NXB
表記:(2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol
組成式:C11 H16 N6 O3
SMILES:N[CH]1CO[CH](Cn2cnc3c(N)ncnc23)[CH](O)[CH]1O
InChi:InChI=1S/C11H16N6O3/c12-5-2-20-6(9(19)8(5)18)1-17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,18-19H,1-2,12H2,(H2,13,14,15)/t5-,6-,8-,9+/m1/s1
定義日:2020-01-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol
JBB
JBB
表記:3-(thiophen-2-ylsulfanylmethyl)benzoic acid
組成式:C12 H10 O2 S2
SMILES:OC(=O)c1cccc(CSc2sccc2)c1
InChi:InChI=1S/C12H10O2S2/c13-12(14)10-4-1-3-9(7-10)8-16-11-5-2-6-15-11/h1-7H,8H2,(H,13,14)
定義日:2019-02-13
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:3-(thiophen-2-ylsulfanylmethyl)benzoic acid
J8N
J8N
表記:4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
組成式:C16 H17 Cl N2 O4 S2
SMILES:N[S](=O)(=O)c1cc(C(=O)NCCCO)c(Sc2ccccc2)cc1Cl
InChi:InChI=1S/C16H17ClN2O4S2/c17-13-10-14(24-11-5-2-1-3-6-11)12(9-15(13)25(18,22)23)16(21)19-7-4-8-20/h1-3,5-6,9-10,20H,4,7-8H2,(H,19,21)(H2,18,22,23)
定義日:2019-02-11
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
J8Q
J8Q
表記:~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
組成式:C19 H23 Cl N2 O3 S2
SMILES:CCCCNC(=O)c1cc(c(Cl)cc1SCCc2ccccc2)[S](N)(=O)=O
InChi:InChI=1S/C19H23ClN2O3S2/c1-2-3-10-22-19(23)15-12-18(27(21,24)25)16(20)13-17(15)26-11-9-14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3,(H,22,23)(H2,21,24,25)
定義日:2019-02-11
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
J92
J92
表記:methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
組成式:C18 H25 Cl N2 O5 S2
SMILES:COC(=O)CCCNC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O
InChi:InChI=1S/C18H25ClN2O5S2/c1-26-17(22)8-5-9-21-18(23)13-10-16(28(20,24)25)14(19)11-15(13)27-12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H,21,23)(H2,20,24,25)
定義日:2019-02-12
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
J9W
J9W
表記:1,3-benzoxazine-2,4-dione
組成式:C8 H5 N O3
SMILES:O=C1NC(=O)c2ccccc2O1
InChi:InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
定義日:2019-02-13
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:1,3-benzoxazine-2,4-dione
Y8A
Y8A
表記:9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline
組成式:C20 H19 Cl N2 O
SMILES:c1c2c(ccc1OC)n(c3c2CCN=C3C)Cc4ccc(cc4)Cl
InChi:InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3
定義日:2019-11-29
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline
E3U
E3U
表記:(6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one
組成式:C16 H12 O6
SMILES:Oc1ccc2c(OC[C]3(O)CC4=CC(=O)C(=CC4=C23)O)c1O
InChi:InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2/t16-/m0/s1
定義日:2019-10-04
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:(6~{a}~{R})-3,4,6~{a},10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one
CWF
CWF
表記:(8S)-8-azanylnonanoic acid
組成式:C9 H19 N O2
SMILES:C[CH](N)CCCCCCC(O)=O
InChi:InChI=1S/C9H19NO2/c1-8(10)6-4-2-3-5-7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1
定義日:2019-05-24
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:(8~{S})-8-azanylnonanoic acid
CWL
CWL
表記:(3R)-3-[(1R)-1-azanylethyl]nonanedioic acid
組成式:C11 H21 N O4
SMILES:C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O
InChi:InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1
定義日:2019-05-24
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:(3~{R})-3-[(1~{R})-1-azanylethyl]nonanedioic acid
EN6
EN6
表記:N-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
組成式:C24 H22 F3 N3 O3 S
SMILES:Cc1nn(c(CO)c1C(=O)NCCO)c2cccc3cc(Cc4cccc(c4)C(F)(F)F)sc23
InChi:InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)20(13-32)30(29-14)19-7-3-5-16-12-18(34-22(16)19)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)
定義日:2020-01-16
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:~{N}-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
N6W
N6W
表記:benzo[b][1]benzazepine-11-carboxamide
組成式:C15 H12 N2 O
SMILES:NC(=O)N1c2ccccc2C=Cc3ccccc13
InChi:InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
定義日:2019-11-14
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:benzo[b][1]benzazepine-11-carboxamide
OOY
OOY
表記:N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
組成式:C27 H29 N3 O4
SMILES:c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5
InChi:InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31)
定義日:2019-07-02
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
OQJ
OQJ
表記:N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
組成式:C22 H17 Cl N4 O3 S
SMILES:c1cc(c(cc1Cl)NC(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC
InChi:InChI=1S/C22H17ClN4O3S/c1-30-18-10-7-14(23)11-17(18)25-21(29)24-15-8-9-16-19(12-15)31-22(26-16)27-20(28)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25,29)(H,26,27,28)
定義日:2019-07-02
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
OQM
OQM
表記:2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
組成式:C21 H17 F3 N6 O
SMILES:c3(c1cnccc1)nc2nc(c(c(C)n2n3)CC(=O)Nc4cc(ccc4)C(F)(F)F)C
InChi:InChI=1S/C21H17F3N6O/c1-12-17(10-18(31)27-16-7-3-6-15(9-16)21(22,23)24)13(2)30-20(26-12)28-19(29-30)14-5-4-8-25-11-14/h3-9,11H,10H2,1-2H3,(H,27,31)
定義日:2019-07-02
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
OQS
OQS
表記:N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
組成式:C21 H15 Cl F3 N5 O3
SMILES:c4c(n3ncc2C(N(CC(Nc1c(ccc(C(F)(F)F)c1)Cl)=O)C=Nc23)=O)ccc(c4)OC
InChi:InChI=1S/C21H15ClF3N5O3/c1-33-14-5-3-13(4-6-14)30-19-15(9-27-30)20(32)29(11-26-19)10-18(31)28-17-8-12(21(23,24)25)2-7-16(17)22/h2-9,11H,10H2,1H3,(H,28,31)
定義日:2019-07-02
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
LX5
LX5
表記:[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
組成式:C6 H12 O7 S
SMILES:OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O
InChi:InChI=1S/C6H12O7S/c7-2-3-5(13-14(10,11)12)1-4(8)6(3)9/h3-9H,1-2H2,(H,10,11,12)/t3-,4+,5+,6+/m1/s1
定義日:2019-09-26
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
LXE
LXE
表記:[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
組成式:C6 H14 N O3
SMILES:[NH3+][CH]1C[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/p+1/t3-,4+,5+,6+/m1/s1
定義日:2019-09-27
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
QX1
QX1
表記:3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
組成式:C26 H30 N6 O2
SMILES:c24c(c1ccc(c(c1)OC)OC)cnn2c(c(c3ccccc3)c(n4)NC5CCN(C)CC5)N
InChi:InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30)
定義日:2020-01-10
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
QXV
QXV
表記:D-methioninamide
組成式:C5 H12 N2 O S
SMILES:NC(C(N)=O)CCSC
InChi:InChI=1S/C5H12N2OS/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m1/s1
定義日:2020-01-13
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:D-methioninamide
RLG
RLG
表記:(4R)-1-methyl-4-phenylpyrrolidin-2-one
組成式:C11 H13 N O
SMILES:CN1CC(CC1=O)c2ccccc2
InChi:InChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
定義日:2020-02-17
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:(4R)-1-methyl-4-phenylpyrrolidin-2-one
RLS
RLS
表記:(4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
組成式:C16 H22 N2 O3 S
SMILES:CN1C(CC(C1)c2ccc(cc2)S(N3CCCCC3)(=O)=O)=O
InChi:InChI=1S/C16H22N2O3S/c1-17-12-14(11-16(17)19)13-5-7-15(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-12H2,1H3/t14-/m0/s1
定義日:2020-02-17
最終更新日:2020-02-21
公開日:2020-02-26
識別子（ID）:(4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one

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