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HWF
HWF
表記:(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
組成式:C13 H17 N O2
SMILES:O=C(O)C(Cc1ccccc1)C1CCNC1
InChi:InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
別名:LY3353871
定義日:2023-07-22
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
IJM
IJM
表記:(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
組成式:C14 H8 F3 N5 O4
SMILES:O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1
InChi:InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22)
定義日:2023-08-01
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
JEI
JEI
表記:(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
組成式:C15 H24 N6 O9 P2
SMILES:O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O
InChi:InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1
定義日:2023-08-07
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
JG6
JG6
表記:{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
組成式:C13 H19 N6 O6 P
SMILES:O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O
InChi:InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1
定義日:2023-08-07
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
A1ACD
A1ACD
表記:1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
組成式:C11 H19 N2 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=O
InChi:InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-27(17,18)5-28(19,20)26-29(21,22)23/h3,7-9,14H,2,4-5H2,1H3,(H,17,18)(H,19,20)(H,12,15,16)(H2,21,22,23)/t7-,8-,9-/m1/s1
定義日:2024-01-10
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
A1AJQ
A1AJQ
表記:4-(piperazin-1-yl)quinoline
組成式:C13 H15 N3
SMILES:c1cc(c2ccccc2n1)N1CCNCC1
InChi:InChI=1S/C13H15N3/c1-2-4-12-11(3-1)13(5-6-15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
定義日:2024-04-03
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:4-(piperazin-1-yl)quinoline
A1AJR
A1AJR
表記:1,2,3,4-tetrahydro-1,5-naphthyridine
組成式:C8 H10 N2
SMILES:c1ccnc2CCCNc12
InChi:InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2
定義日:2024-04-03
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:1,2,3,4-tetrahydro-1,5-naphthyridine
A1AJU
A1AJU
表記:4-ethenyl-1H-imidazole
組成式:C5 H6 N2
SMILES:C=Cc1c[NH]cn1
InChi:InChI=1S/C5H6N2/c1-2-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)
定義日:2024-04-03
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:4-ethenyl-1H-imidazole
A1AJV
A1AJV
表記:3-ethenyl-1,2-dimethyl-pyrazole
組成式:C7 H11 N2
SMILES:C[n+]1ccc(C=C)n1C
InChi:InChI=1S/C7H11N2/c1-4-7-5-6-8(2)9(7)3/h4-6H,1H2,2-3H3/q+1
定義日:2024-04-03
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:5-ethenyl-1,2-dimethyl-1H-pyrazol-2-ium
A1AJY
A1AJY
表記:3-ethenyl-1-methyl-pyridine
組成式:C8 H10 N
SMILES:C[n+]1cccc(C=C)c1
InChi:InChI=1S/C8H10N/c1-3-8-5-4-6-9(2)7-8/h3-7H,1H2,2H3/q+1
定義日:2024-04-03
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:3-ethenyl-1-methylpyridin-1-ium
A1AJZ
A1AJZ
表記:4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
組成式:C6 H10 N2 O2
SMILES:OCCC=1C(=O)NNC=1C
InChi:InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10)
定義日:2024-04-03
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
A1AKA
A1AKA
表記:(8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
組成式:C7 H11 N3
SMILES:Cc1cnn2CCNCc12
InChi:InChI=1S/C7H11N3/c1-6-4-9-10-3-2-8-5-7(6)10/h4,8H,2-3,5H2,1H3
定義日:2024-04-03
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:(8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
A1AKB
A1AKB
表記:N,N-dimethylpiperazine-1-carboxamide
組成式:C7 H15 N3 O
SMILES:O=C(N(C)C)N1CCNCC1
InChi:InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
定義日:2024-04-03
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:N,N-dimethylpiperazine-1-carboxamide
A1AOE
A1AOE
表記:(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
組成式:C15 H21 F3 N2 O2
SMILES:OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F
InChi:InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1
定義日:2024-04-19
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
A1AOF
A1AOF
表記:(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol
組成式:C14 H18 Cl2 N2 O2
SMILES:Clc1cc(cc(Cl)c1)OCC(O)CNC1C2CNCC21
InChi:InChI=1S/C14H18Cl2N2O2/c15-8-1-9(16)3-11(2-8)20-7-10(19)4-18-14-12-5-17-6-13(12)14/h1-3,10,12-14,17-19H,4-7H2/t10-,12-,13-/m0/s1
定義日:2024-04-19
最終更新日:2024-05-03
公開日:2024-05-08
識別子（ID）:(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol
1CC
1CC
表記:5-carboxy-2'-deoxycytidine monophosphate
組成式:C10 H14 N3 O9 P
SMILES:O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1
定義日:2011-11-17
最終更新日:2024-04-29
識別子（ID）:5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate)
ZJT
ZJT
表記:(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
組成式:C13 H9 F O2 S
SMILES:O=C(O)c1cc2CCc3cc(F)ccc3c2s1
InChi:InChI=1S/C13H9FO2S/c14-9-3-4-10-7(5-9)1-2-8-6-11(13(15)16)17-12(8)10/h3-6H,1-2H2,(H,15,16)
定義日:2023-06-27
最終更新日:2024-04-26
公開日:2024-05-01
識別子（ID）:(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
UH9
UH9
表記:[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
組成式:C16 H15 F3 N O5 P
SMILES:O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2cccc(F)c2
InChi:InChI=1S/C16H15F3NO5P/c17-12-5-3-4-11(8-12)16(18,19)10-20-15(21)9-25-13-6-1-2-7-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24)
定義日:2023-02-03
最終更新日:2024-04-26
公開日:2024-05-01
識別子（ID）:[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
XSL
XSL
表記:[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
組成式:C16 H15 F3 N O5 P
SMILES:O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F
InChi:InChI=1S/C16H15F3NO5P/c17-12-6-2-1-5-11(12)16(18,19)10-20-15(21)9-25-13-7-3-4-8-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24)
定義日:2023-01-30
最終更新日:2024-04-26
公開日:2024-05-01
識別子（ID）:[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Y6E
Y6E
表記:1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile
組成式:C25 H23 F N4 O3 S
SMILES:O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1
InChi:InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
定義日:2023-06-12
最終更新日:2024-04-26
公開日:2024-05-01
識別子（ID）:1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile
U5U
U5U
表記:~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine
組成式:C15 H15 N4 Pd S
SMILES:CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd]
InChi:InChI=1S/C15H16N4S.Pd/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13
定義日:2023-05-17
最終更新日:2024-04-26
公開日:2024-05-01
識別子（ID）:~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine
UKX
UKX
表記:(2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide
組成式:C8 H14 N2 O2
SMILES:CC[CH](N1CCCC1=O)C(N)=O
InChi:InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1
別名:levetiracetam
定義日:2023-06-09
最終更新日:2024-04-26
公開日:2024-05-01
識別子（ID）:(2~{S})-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide
WOQ
WOQ
表記:Setiptiline
組成式:C19 H19 N
SMILES:CN1CC2=C(CC1)c1ccccc1Cc1ccccc21
InChi:InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
別名:[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine
定義日:2023-10-09
最終更新日:2024-04-26
公開日:2024-05-01
識別子（ID）:[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine
UAC
UAC
表記:(2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide
組成式:C45 H65 Cl N8 O6
SMILES:C[CH](N(C)C(=O)[CH](C)N(Cc1c[nH]c2cc(Cl)ccc12)C(=O)[CH](C)N(C)C(=O)[CH](C)N(Cc3ccccc3)C(C)=O)C(=O)N(CCC(C)(C)C)[CH](C)C(=O)N4CCNCC4
InChi:InChI=1S/C45H65ClN8O6/c1-29(43(59)52(22-19-45(7,8)9)33(5)42(58)51-23-20-47-21-24-51)49(10)41(57)32(4)54(28-36-26-48-39-25-37(46)17-18-38(36)39)44(60)30(2)50(11)40(56)31(3)53(34(6)55)27-35-15-13-12-14-16-35/h12-18,25-26,29-33,47-48H,19-24,27-28H2,1-11H3/t29-,30-,31-,32-,33-/m0/s1
定義日:2023-05-25
最終更新日:2024-04-26
公開日:2024-05-01
識別子（ID）:(2~{S})-2-[[(2~{S})-2-[(6-chloranyl-1~{H}-indol-3-yl)methyl-[(2~{S})-2-[[(2~{S})-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-~{N}-(3,3-dimethylbutyl)-~{N}-[(2~{S})-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide
VHL
VHL
表記:Tricarbonyl di(imidazole) rhenium(I)
組成式:C9 H6 N4 O3 Re
SMILES:[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re+](n1ccnc1)n2ccnc2
InChi:InChI=1S/2C3H3N2.3CO.Re/c2*1-2-5-3-4-1
別名:di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)
定義日:2023-09-12
最終更新日:2024-04-26
公開日:2024-05-01
識別子（ID）:di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)

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