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Q3U
Q3U
表記:N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea
組成式:C12 H11 Cl N4 O
SMILES:O=C(Nc1cc(N)cnc1)Nc1cccc(Cl)c1
InChi:InChI=1S/C12H11ClN4O/c13-8-2-1-3-10(4-8)16-12(18)17-11-5-9(14)6-15-7-11/h1-7H,14H2,(H2,16,17,18)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea
Q45
Q45
表記:2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide
組成式:C15 H24 N4 O3 S
SMILES:O=C(CN1CCCCC1CCNS(C)(=O)=O)Nc1cccnc1
InChi:InChI=1S/C15H24N4O3S/c1-23(21,22)17-9-7-14-6-2-3-10-19(14)12-15(20)18-13-5-4-8-16-11-13/h4-5,8,11,14,17H,2-3,6-7,9-10,12H2,1H3,(H,18,20)/t14-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide
Q4F
Q4F
表記:1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one
組成式:C14 H17 Cl N2 O
SMILES:CC(=O)N1CC2CC1CN2Cc1cccc(Cl)c1
InChi:InChI=1S/C14H17ClN2O/c1-10(18)17-9-13-6-14(17)8-16(13)7-11-3-2-4-12(15)5-11/h2-5,13-14H,6-9H2,1H3/t13-,14-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one
Q4R
Q4R
表記:N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide
組成式:C18 H18 N4 O3 S
SMILES:O=C(Nc1cnccc1C)CN(C)S(=O)(=O)c1cccc2cccnc21
InChi:InChI=1S/C18H18N4O3S/c1-13-8-10-19-11-15(13)21-17(23)12-22(2)26(24,25)16-7-3-5-14-6-4-9-20-18(14)16/h3-11H,12H2,1-2H3,(H,21,23)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide
Q5C
Q5C
表記:N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide
組成式:C15 H16 N4 O2
SMILES:O=C(Nc1cnccc1C)CNC(=O)Cc1cccnc1
InChi:InChI=1S/C15H16N4O2/c1-11-4-6-17-9-13(11)19-15(21)10-18-14(20)7-12-3-2-5-16-8-12/h2-6,8-9H,7,10H2,1H3,(H,18,20)(H,19,21)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide
Q5K
Q5K
表記:(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
組成式:C19 H16 F N3 O4 S
SMILES:OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChi:InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
Q5R
Q5R
表記:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
組成式:C20 H19 N3 O2
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
Q60
Q60
表記:N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea
組成式:C19 H22 N6 O
SMILES:Cn1cc(CNC(=O)N(Cc2cccnc2)CCc2ccccc2)nn1
InChi:InChI=1S/C19H22N6O/c1-24-15-18(22-23-24)13-21-19(26)25(14-17-8-5-10-20-12-17)11-9-16-6-3-2-4-7-16/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,21,26)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea
Q69
Q69
表記:N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
組成式:C10 H12 Cl N O2
SMILES:Clc1cc(ccc1)C(NC(C)=O)CO
InChi:InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
Q6U
Q6U
表記:1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one
組成式:C9 H14 N2 O
SMILES:C#CCN1CCN(CC1)C(C)=O
InChi:InChI=1S/C9H14N2O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h1H,4-8H2,2H3
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one
Q75
Q75
表記:3-(1,3-Thiazol-5-yl)-L-alanine
組成式:C6 H8 N2 O2 S
SMILES:N[CH](Cc1scnc1)C(O)=O
InChi:InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
別名:(2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid
定義日:2020-05-26
最終更新日:2023-11-03
公開日:2021-04-28
識別子（ID）:(2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid
Q78
Q78
表記:L-3-Thienylalanine
組成式:C7 H9 N O2 S
SMILES:N[CH](Cc1cscc1)C(O)=O
InChi:InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
別名:(2S)-2-azanyl-3-thiophen-3-yl-propanoic acid
定義日:2020-05-26
最終更新日:2023-11-03
公開日:2021-04-28
識別子（ID）:(2~{S})-2-azanyl-3-thiophen-3-yl-propanoic acid
Q7C
Q7C
表記:N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide
組成式:C9 H16 N2 O4 S
SMILES:O=S1(=O)CCC(C1)N(CCC(N)=O)C(C)=O
InChi:InChI=1S/C9H16N2O4S/c1-7(12)11(4-2-9(10)13)8-3-5-16(14,15)6-8/h8H,2-6H2,1H3,(H2,10,13)/t8-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide
Q7R
Q7R
表記:1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one
組成式:C19 H22 N2 O
SMILES:CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChi:InChI=1S/C19H22N2O/c1-16(22)20-12-14-21(15-13-20)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one
Q8I
Q8I
表記:1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine
組成式:C10 H11 F N2
SMILES:Fc1cc2c(cc1)[NH]cc2CNC
InChi:InChI=1S/C10H11FN2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,6,12-13H,5H2,1H3
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine
BW5
BW5
表記:(2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid
組成式:C13 H21 N O2
SMILES:N[CH](CC12CC3CC(CC(C3)C1)C2)C(O)=O
InChi:InChI=1S/C13H21NO2/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11H,1-7,14H2,(H,15,16)/t8-,9+,10-,11-,13-/m0/s1
定義日:2017-10-19
最終更新日:2023-11-03
公開日:2018-08-08
識別子（ID）:(2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid
Q8O
Q8O
表記:2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C15 H14 N4 O
SMILES:Cc1ccncc1NC(=O)Cc1ccc2nc[NH]c2c1
InChi:InChI=1S/C15H14N4O/c1-10-4-5-16-8-14(10)19-15(20)7-11-2-3-12-13(6-11)18-9-17-12/h2-6,8-9H,7H2,1H3,(H,17,18)(H,19,20)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide
BWV
BWV
表記:N~5~-(N-butylcarbamimidoyl)-L-ornithine
組成式:C10 H22 N4 O2
SMILES:NC(C(O)=O)CCCN/C(NCCCC)=N
InChi:InChI=1S/C10H22N4O2/c1-2-3-6-13-10(12)14-7-4-5-8(11)9(15)16/h8H,2-7,11H2,1H3,(H,15,16)(H3,12,13,14)/t8-/m0/s1
定義日:2017-09-01
最終更新日:2023-11-03
公開日:2017-12-13
識別子（ID）:N~5~-(N-butylcarbamimidoyl)-L-ornithine
Q99
Q99
表記:N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:C21 H18 Cl N3 O5
SMILES:O=C1Nc2ccccc2C(=C1)C(=O)NCCOc1cc(Cl)cc(OC2CC(=O)N2)c1
InChi:InChI=1S/C21H18ClN3O5/c22-12-7-13(9-14(8-12)30-20-11-19(27)25-20)29-6-5-23-21(28)16-10-18(26)24-17-4-2-1-3-15(16)17/h1-4,7-10,20H,5-6,11H2,(H,23,28)(H,24,26)(H,25,27)/t20-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
BYR
BYR
表記:3-bromo-L-tyrosine
組成式:C9 H10 Br N O3
SMILES:Brc1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
定義日:2013-12-17
最終更新日:2023-11-03
公開日:2015-08-19
識別子（ID）:3-bromo-L-tyrosine
QBC
QBC
表記:7-chloroquinolin-4-amine
組成式:C9 H7 Cl N2
SMILES:Clc1cc2nccc(N)c2cc1
InChi:InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
定義日:2022-06-06
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:7-chloroquinolin-4-amine
QBR
QBR
表記:N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
組成式:C30 H30 F N3 O3
SMILES:O=C(N(C(c1cccnc1)C(=O)NCCc1cccc(F)c1)c1ccc(cc1)C(C)(C)C)c1ccco1
InChi:InChI=1S/C30H30FN3O3/c1-30(2,3)23-11-13-25(14-12-23)34(29(36)26-10-6-18-37-26)27(22-8-5-16-32-20-22)28(35)33-17-15-21-7-4-9-24(31)19-21/h4-14,16,18-20,27H,15,17H2,1-3H3,(H,33,35)/t27-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
BZK
BZK
表記:(2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
組成式:C11 H21 N O4
SMILES:CCC(=O)C[CH](O)C[CH](C)C[CH](N)C(O)=O
InChi:InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1
定義日:2017-11-01
最終更新日:2023-11-03
公開日:2018-07-18
識別子（ID）:(2~{S},4~{S},6~{S})-2-azanyl-4-methyl-6-oxidanyl-8-oxidanylidene-decanoic acid
QC3
QC3
表記:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one
組成式:C19 H15 Cl N2 O
SMILES:Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one
QC4
QC4
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H14 F3 N3 O5
SMILES:NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2F)F)O
InChi:InChI=1S/C15H14F3N3O5/c1-5(22)12(19)14-20-8(15(26)21(14)4-9(23)24)3-6-2-7(16)13(25)11(18)10(6)17/h2-3,5,12,22,25H,4,19H2,1H3,(H,23,24)/b8-3-/t5-,12+/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2019-10-11
最終更新日:2023-11-03
公開日:2020-10-14
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid

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