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O0R
O0R
表記:2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide
組成式:C16 H15 Cl N2 O
SMILES:O=C(Nc1cnccc1C1CC1)Cc1cccc(Cl)c1
InChi:InChI=1S/C16H15ClN2O/c17-13-3-1-2-11(8-13)9-16(20)19-15-10-18-7-6-14(15)12-4-5-12/h1-3,6-8,10,12H,4-5,9H2,(H,19,20)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide
8MC
8MC
表記:(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid
組成式:C12 H10 O5
SMILES:O=C(O)CC=1c2c(OC(=O)C=1)cc(OC)cc2
InChi:InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)
定義日:2013-05-07
最終更新日:2023-11-03
公開日:2014-03-12
識別子（ID）:(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid
O1I
O1I
表記:(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide
組成式:C15 H15 Cl N2 O2
SMILES:O=C(Nc1cnccc1C)C(CO)c1cccc(Cl)c1
InChi:InChI=1S/C15H15ClN2O2/c1-10-5-6-17-8-14(10)18-15(20)13(9-19)11-3-2-4-12(16)7-11/h2-8,13,19H,9H2,1H3,(H,18,20)/t13-/m1/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide
O1X
O1X
表記:(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
組成式:C10 H12 F2 N2 O2
SMILES:O=C(Nc1cnccc1C)C(C)OC(F)F
InChi:InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
O2R
O2R
表記:2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C18 H21 Cl N2 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(Cl)ccc1OCCCC
InChi:InChI=1S/C18H21ClN2O2/c1-3-4-9-23-17-6-5-15(19)10-14(17)11-18(22)21-16-12-20-8-7-13(16)2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
O3I
O3I
表記:2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide
組成式:C21 H17 Cl F2 N2 O
SMILES:O=C(Nc1cnccc1C)Cc1cc(cc(Cl)c1)c1ccc(C)c(F)c1F
InChi:InChI=1S/C21H17ClF2N2O/c1-12-5-6-25-11-18(12)26-19(27)9-14-7-15(10-16(22)8-14)17-4-3-13(2)20(23)21(17)24/h3-8,10-11H,9H2,1-2H3,(H,26,27)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide
O3U
O3U
表記:N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide
組成式:C15 H18 N4 O S
SMILES:CC(=O)NC1=NC(SC)=C(C#N)C2(CCCCC2)C1C#N
InChi:InChI=1S/C15H18N4OS/c1-10(20)18-13-11(8-16)15(6-4-3-5-7-15)12(9-17)14(19-13)21-2/h11H,3-7H2,1-2H3,(H,18,19,20)/t11-/m1/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide
O4L
O4L
表記:N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
組成式:C17 H16 N4 O3
SMILES:CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc32)c1C
InChi:InChI=1S/C17H16N4O3/c1-9-8-14(11(3)22)10(2)21(9)20-17(24)15-12-6-4-5-7-13(12)16(23)19-18-15/h4-8H,1-3H3,(H,19,23)(H,20,24)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
O5C
O5C
表記:1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
組成式:C18 H14 F N O2
SMILES:Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O
InChi:InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
8RE
8RE
表記:3,4-dihydroxylysine
組成式:C6 H14 N2 O4
SMILES:NCC[CH](O)[CH](O)[CH](N)C(O)=O
InChi:InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5-/m0/s1
定義日:2017-02-28
最終更新日:2023-11-03
公開日:2018-03-14
識別子（ID）:(2~{S},3~{R},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid
O65
O65
表記:3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde
組成式:C10 H12 O4
SMILES:Cc1c(CO)cc(cc1CO)C(O)=O
InChi:InChI=1S/C10H12O4/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3,11-12H,4-5H2,1H3,(H,13,14)
定義日:2020-02-10
最終更新日:2023-11-03
公開日:2021-02-17
識別子（ID）:3,5-bis(hydroxymethyl)-4-methyl-benzoic acid
8SN
8SN
表記:(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
組成式:C13 H18 N2 O3
SMILES:C[CH]1C[CH](N2[CH]1C=C[CH]3CCN[CH]3C2=O)C(O)=O
InChi:InChI=1S/C13H18N2O3/c1-7-6-10(13(17)18)15-9(7)3-2-8-4-5-14-11(8)12(15)16/h2-3,7-11,14H,4-6H2,1H3,(H,17,18)/t7-,8+,9+,10+,11+/m1/s1
定義日:2017-03-03
最終更新日:2023-11-03
公開日:2018-03-21
識別子（ID）:(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
O7D
O7D
表記:4-methoxy-N-methyl-L-tryptophan
組成式:C13 H16 N2 O3
SMILES:CNC(Cc1cnc2cccc(c12)OC)C(=O)O
InChi:InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1
定義日:2019-06-17
最終更新日:2023-11-03
公開日:2020-05-13
識別子（ID）:4-methoxy-N-methyl-L-tryptophan
O7G
O7G
表記:N,N-dimethyl-L-valine
組成式:C7 H15 N O2
SMILES:N(C)(C)C(C(=O)O)C(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1
定義日:2019-06-17
最終更新日:2023-11-03
公開日:2020-05-13
識別子（ID）:N,N-dimethyl-L-valine
O87
O87
表記:4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
組成式:C21 H18 F3 N3 O2
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(ccc1)C(F)(F)F
InChi:InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
O8L
O8L
表記:(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide
組成式:C18 H18 Cl N3 O3
SMILES:Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N2)c1
InChi:InChI=1S/C18H18ClN3O3/c1-10-3-4-20-9-15(10)21-18(24)11(2)12-5-13(19)7-14(6-12)25-17-8-16(23)22-17/h3-7,9,11,17H,8H2,1-2H3,(H,21,24)(H,22,23)/t11-,17+/m0/s1
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide
O9X
O9X
表記:(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
組成式:C10 H12 F2 N2 O2
SMILES:O=C(Nc1cnccc1C)C(C)OC(F)F
InChi:InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m1/s1
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
PXU
PXU
表記:2-hydroxy-L-proline
組成式:C5 H9 N O3
SMILES:O=C(O)C1(O)NCCC1
InChi:InChI=1S/C5H9NO3/c7-4(8)5(9)2-1-3-6-5/h6,9H,1-3H2,(H,7,8)/t5-/m1/s1
定義日:2012-10-03
最終更新日:2023-11-03
公開日:2012-10-05
識別子（ID）:2-hydroxy-L-proline
PYA
PYA
表記:3-(1,10-PHENANTHROL-2-YL)-L-ALANINE
組成式:C15 H13 N3 O2
SMILES:O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3
InChi:InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-(1,10-phenanthrolin-2-yl)-L-alanine
PYR
PYR
表記:PYRUVIC ACID
組成式:C3 H4 O3
SMILES:O=C(C(=O)O)C
InChi:InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:2-oxopropanoic acid
PZ6
PZ6
表記:(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H18 Cl N3 O2
SMILES:Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/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）:(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Q0I
Q0I
表記:(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C22 H19 Cl N2 O3
SMILES:CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/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）:(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Q1C
Q1C
表記:2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C14 H21 N3 O
SMILES:O=C(CN1CCC(C)CC1)Nc1cnccc1C
InChi:InChI=1S/C14H21N3O/c1-11-4-7-17(8-5-11)10-14(18)16-13-9-15-6-3-12(13)2/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,18)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
Q2G
Q2G
表記:N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea
組成式:C13 H12 Cl N3 O
SMILES:O=C(Nc1cnccc1C)Nc1cccc(Cl)c1
InChi:InChI=1S/C13H12ClN3O/c1-9-5-6-15-8-12(9)17-13(18)16-11-4-2-3-10(14)7-11/h2-8H,1H3,(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-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea
Q2K
Q2K
表記:2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid
組成式:C9 H11 N3 O4 S
SMILES:CSCCC(=N)C1=NC(=O)C(=O)N1CC(O)=O
InChi:InChI=1S/C9H11N3O4S/c1-17-3-2-5(10)7-11-8(15)9(16)12(7)4-6(13)14/h10H,2-4H2,1H3,(H,13,14)/b10-5-
別名:CHROMOPHORE (MET-TYR-GLY)
定義日:2022-10-11
最終更新日:2023-11-03
公開日:2023-02-15
識別子（ID）:2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid

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