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NRG
NRG
表記:N-OMEGA-NITRO-L-ARGININE
組成式:C6 H13 N5 O4
SMILES:[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N
InChi:InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
別名:NNA
定義日:1999-07-28
最終更新日:2024-09-27
識別子（ID）:N~5~-(N-nitrocarbamimidoyl)-L-ornithine
1LC
1LC
表記:(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide
組成式:C18 H14 N4 O2
SMILES:N#CC(C(=O)N)Cc1cccc(c1)C(=O)c3c2cccnc2nc3
InChi:InChI=1S/C18H14N4O2/c19-9-13(17(20)24)8-11-3-1-4-12(7-11)16(23)15-10-22-18-14(15)5-2-6-21-18/h1-7,10,13H,8H2,(H2,20,24)(H,21,22)/t13-/m1/s1
定義日:2013-03-18
最終更新日:2024-09-27
公開日:2013-04-10
識別子（ID）:(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide
RU8
RU8
表記:bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)
組成式:C34 H26 I N7 O Ru
SMILES:ICC(=O)Nc1cc7c6c2c1cccn2[Ru+2]%105(n3ccccc3c4ccccn45)(n6ccc7)n8ccccc8c9ccccn9%10
InChi:InChI=1S/C14H10IN3O.2C10H8N2.Ru/c15-8-12(19)18-11-7-9-3-1-5-16-13(9)14-10(11)4-2-6-17-14
定義日:2010-07-20
最終更新日:2024-09-27
識別子（ID）:bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)
LR2
LR2
表記:~{N}-pyridin-2-yl-2-selanyl-benzamide
組成式:C12 H10 N2 O Se
SMILES:[SeH]c1ccccc1C(=O)Nc2ccccn2
InChi:InChI=1S/C12H10N2OSe/c15-12(9-5-1-2-6-10(9)16)14-11-7-3-4-8-13-11/h1-8,16H,(H,13,14,15)
定義日:2019-09-02
最終更新日:2024-09-27
公開日:2020-03-18
識別子（ID）:~{N}-pyridin-2-yl-2-selanyl-benzamide
YBU
YBU
表記:(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine
組成式:C9 H7 N3 O
SMILES:N=Cc1oc(nn1)c2ccccc2
InChi:InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
定義日:2023-06-13
最終更新日:2024-09-27
公開日:2023-06-28
識別子（ID）:(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine
ZRJ
ZRJ
表記:tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate
組成式:C14 H21 N O4
SMILES:COc1cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C
InChi:InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)12(15)9-6-10(17-4)8-11(7-9)18-5/h6-8,12H,15H2,1-5H3/t12-/m0/s1
別名:~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate
定義日:2024-01-22
最終更新日:2024-09-27
公開日:2024-04-17
識別子（ID）:~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate
S8T
S8T
表記:9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
組成式:C17 H17 F S
SMILES:CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1
InChi:InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3
別名:Isofloxythepin
定義日:2020-11-11
最終更新日:2024-09-27
公開日:2020-12-02
識別子（ID）:9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
1LE
1LE
表記:(2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide
組成式:C24 H28 N4 O5
SMILES:N#CC(C(=O)NC(C)(C)CO)Cc1cc2c(cc1)nnc2c3cc(OC)c(OC)c(OC)c3
InChi:InChI=1S/C24H28N4O5/c1-24(2,13-29)26-23(30)16(12-25)8-14-6-7-18-17(9-14)21(28-27-18)15-10-19(31-3)22(33-5)20(11-15)32-4/h6-7,9-11,16,29H,8,13H2,1-5H3,(H,26,30)(H,27,28)/t16-/m0/s1
定義日:2013-03-18
最終更新日:2024-09-27
公開日:2013-04-10
識別子（ID）:(2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide
RUA
RUA
表記:(4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-BIPYRIDINE)
組成式:C32 H56 N6 Ru
SMILES:N92C(C1N(CCC(C1)C)[Ru]258(N3CCCCC3C4N5CCCC4)N6CCCCC6C7N8CCCC7)CC(=CC9)C
InChi:InChI=1S/C12H20N2.2C10H18N2.Ru/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12
定義日:2005-05-26
最終更新日:2024-09-27
識別子（ID）:[(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2S)-4-methyl-2-[(2S,4S)-4-methylpiperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium
NDG
NDG
表記:2-acetamido-2-deoxy-alpha-D-glucopyranose
組成式:C8 H15 N O6
SMILES:O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
別名:N-acetyl-alpha-D-glucosamine
定義日:2002-07-02
最終更新日:2024-09-27
識別子（ID）:2-(acetylamino)-2-deoxy-alpha-D-glucopyranose
V1Q
V1Q
表記:4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide
組成式:C11 H13 N3 O2 S
SMILES:Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1
InChi:InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13)
定義日:2021-04-06
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide
MK7
MK7
表記:(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
組成式:C12 H22 N4 O6 S
SMILES:O=CN2C(C(=O)NC1CCNCC1)CCC(NOS(=O)(=O)O)C2
InChi:InChI=1S/C12H22N4O6S/c17-8-16-7-10(15-22-23(19,20)21)1-2-11(16)12(18)14-9-3-5-13-6-4-9/h8-11,13,15H,1-7H2,(H,14,18)(H,19,20,21)/t10-,11+/m1/s1
別名:MK-7655, bound form
定義日:2013-11-27
最終更新日:2024-09-27
公開日:2014-02-19
識別子（ID）:(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
UO9
UO9
表記:(2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C24 H37 N3 O9 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22+,37-/m0/s1
定義日:2022-08-23
最終更新日:2024-09-27
公開日:2022-09-07
識別子（ID）:(1R,2S)-2-{[N-({2-[(S)-benzenesulfinyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
XYP
XYP
表記:beta-D-xylopyranose
組成式:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
別名:beta-D-xylose
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:beta-D-xylopyranose
YBZ
YBZ
表記:(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
組成式:C9 H7 N3 S
SMILES:N=Cc1sc(nn1)c2ccccc2
InChi:InChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
定義日:2023-06-13
最終更新日:2024-09-27
公開日:2023-07-26
識別子（ID）:(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
NRL
NRL
表記:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine
組成式:C12 H17 N5 O5
SMILES:OC(=O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O
InChi:InChI=1S/C12H17N5O5/c13-7-5-22-6-8(7)17(4-11(19)20)10(18)3-16-2-1-9(14)15-12(16)21/h1-2,7-8H,3-6,13H2,(H,19,20)(H2,14,15,21)/t7-,8-/m0/s1
定義日:2022-04-07
最終更新日:2024-09-27
公開日:2023-04-05
識別子（ID）:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine
VVW
VVW
表記:1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea
組成式:C32 H35 Cl2 N9 O6
SMILES:C[CH](Oc1cc(NC(=O)Nc2nc(C=O)c(CN3CCN(C)CC3=O)cc2OCCN4CCOCC4)ncc1C#N)c5c(Cl)cncc5Cl
InChi:InChI=1S/C32H35Cl2N9O6/c1-20(30-23(33)15-36-16-24(30)34)49-26-12-28(37-14-22(26)13-35)39-32(46)40-31-27(48-10-7-42-5-8-47-9-6-42)11-21(25(19-44)38-31)17-43-4-3-41(2)18-29(43)45/h11-12,14-16,19-20H,3-10,17-18H2,1-2H3,(H2,37,38,39,40,46)/t20-/m1/s1
定義日:2023-08-22
最終更新日:2024-09-27
公開日:2024-07-31
識別子（ID）:1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea
MK8
MK8
表記:2-methyl-L-norleucine
組成式:C7 H15 N O2
SMILES:O=C(O)C(N)(CCCC)C
InChi:InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1
定義日:2010-04-16
最終更新日:2024-09-27
識別子（ID）:2-methyl-L-norleucine
T2G
T2G
表記:1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
組成式:C14 H20 N2 O
SMILES:N2(CCN(Cc1cccc(c1)C)CC2)C(=O)C
InChi:InChI=1S/C14H20N2O/c1-12-4-3-5-14(10-12)11-15-6-8-16(9-7-15)13(2)17/h3-5,10H,6-9,11H2,1-2H3
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
XYQ
XYQ
表記:(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE
組成式:C17 H25 N5 O15 P2
SMILES:O=C(OC1OC(C(O)C1O)COP(=O)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C
InChi:InChI=1S/C17H25N5O15P2/c1-6(23)34-17-13(27)11(25)8(36-17)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1
別名:ACETYL-RIBOSYL-ADP
定義日:2006-07-13
最終更新日:2024-09-27
識別子（ID）:(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate (non-preferred name)
X6E
X6E
表記:2-ethyl-D-norvaline
組成式:C7 H15 N O2
SMILES:CCCC(N)(CC)C(=O)O
InChi:InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1
定義日:2023-06-02
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:2-ethyl-D-norvaline
R28
R28
表記:propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
組成式:C32 H41 N7 O4
SMILES:CCC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C
InChi:InChI=1S/C32H41N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h10-13,16-20H,9,14-15H2,1-8H3,(H,34,40)(H,33,35,36)
別名:Mobocertinib, bound form
定義日:2020-08-26
最終更新日:2024-09-27
公開日:2022-02-23
識別子（ID）:propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
NRO
NRO
表記:3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
組成式:C16 H15 N O5
SMILES:[O-][N+](=O)/C(=Cc1oc(cc1)c2cccc(C(=O)O)c2)CCC
InChi:InChI=1S/C16H15NO5/c1-2-4-13(17(20)21)10-14-7-8-15(22-14)11-5-3-6-12(9-11)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)/b13-10-
定義日:2008-03-17
最終更新日:2024-09-27
識別子（ID）:3-{5-[(1Z)-2-nitropent-1-en-1-yl]furan-2-yl}benzoic acid
XYS
XYS
表記:alpha-D-xylopyranose
組成式:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
別名:alpha-D-xylose
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:alpha-D-xylopyranose
T2J
T2J
表記:1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one
組成式:C12 H15 N3 O3
SMILES:N2(c1ccccc1[N+]([O-])=O)CCN(CC2)C(=O)C
InChi:InChI=1S/C12H15N3O3/c1-10(16)13-6-8-14(9-7-13)11-4-2-3-5-12(11)15(17)18/h2-5H,6-9H2,1H3
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:1-[4-(2-nitrophenyl)piperazin-1-yl]ethan-1-one

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