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N
N
表記:ANY 5'-MONOPHOSPHATE NUCLEOTIDE
組成式:C5 H11 O7 P
SMILES:O=P(OCC1OCC(O)C1O)(O)O
InChi:InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1
別名:1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
定義日:1999-07-13
最終更新日:2024-09-27
識別子（ID）:1,4-anhydro-5-O-phosphono-D-ribitol
NW3
NW3
表記:(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C16 H21 N3 O4 S
SMILES:O=C(NC(C=O)C1NC(C(=O)O)C(C)(C)S1)C(N)c1ccccc1
InChi:InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12-,14-/m0/s1
定義日:2022-04-11
最終更新日:2024-09-27
公開日:2022-05-25
識別子（ID）:(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
NWA
NWA
表記:4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM
組成式:C8 H20 N O2
SMILES:OC(O)(C)CCC[N+](C)(C)C
InChi:InChI=1S/C8H20NO2/c1-8(10,11)6-5-7-9(2,3)4/h10-11H,5-7H2,1-4H3/q+1
定義日:2005-10-27
最終更新日:2024-09-27
識別子（ID）:4,4-dihydroxy-N,N,N-trimethylpentan-1-aminium
NWJ
NWJ
表記:2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
組成式:C18 H16 N6 O
SMILES:O=Cc1cccc(c1)c3c(C#N)c2c(nc(nc2n3)N)N4CCCC4
InChi:InChI=1S/C18H16N6O/c19-9-13-14-16(21-15(13)12-5-3-4-11(8-12)10-25)22-18(20)23-17(14)24-6-1-2-7-24/h3-5,8,10H,1-2,6-7H2,(H3,20,21,22,23)
定義日:2014-01-15
最終更新日:2024-09-27
公開日:2015-01-21
識別子（ID）:2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
8CY
8CY
表記:ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form
組成式:C22 H15 N2 O6 Ru S
SMILES:C%12SC(C(C(=O)O)NC(=O)CCC(C9%10C8C7C%11[Ru]6432789(C1C5C4C3C12)C%10%11)=O)NC(=C%12C)C(=O)O
InChi:InChI=1S/C17H19N2O6S.C5H5.Ru/c1-9-8-26-15(19-13(9)16(22)23)14(17(24)25)18-12(21)7-6-11(20)10-4-2-3-5-10
定義日:2017-01-19
最終更新日:2024-09-27
公開日:2017-02-08
識別子（ID）:[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methyl-3,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
NX0
NX0
表記:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
組成式:C10 H12 N2 O2
SMILES:CCC(=O)N1CCOc2ncccc12
InChi:InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3
別名:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor)
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
NX6
NX6
表記:N-[(benzyloxy)carbonyl]-L-aspartic acid
組成式:C12 H13 N O6
SMILES:O=C(O)C(NC(=O)OCc1ccccc1)CC(=O)O
InChi:InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
定義日:2011-01-26
最終更新日:2024-09-27
識別子（ID）:N-[(benzyloxy)carbonyl]-L-aspartic acid
NXA
NXA
表記:N-CARBOXYALANINE
組成式:C4 H7 N O4
SMILES:O=C(O)C(NC(=O)O)C
InChi:InChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1
定義日:2002-11-26
最終更新日:2024-09-27
識別子（ID）:N-carboxy-L-alanine
NXC
NXC
表記:(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)
組成式:C23 H33 Cl N3 O5 P Pt
SMILES:CCO[P](=O)(CCCc1cc2CN(C)(C)|[Pt]3(Cl)|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O
InChi:InChI=1S/C23H33N3O5P.ClH.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5
別名:ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate
定義日:2008-09-12
最終更新日:2024-09-27
8DN
8DN
表記:1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole
組成式:C11 H13 N3
SMILES:Cc1cc(C)cc(c1)n1cc(C)nn1
InChi:InChI=1S/C11H13N3/c1-8-4-9(2)6-11(5-8)14-7-10(3)12-13-14/h4-7H,1-3H3
定義日:2021-09-14
最終更新日:2024-09-27
公開日:2021-11-03
識別子（ID）:1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole
NXI
NXI
表記:~{N}-(1~{H}-indazol-5-ylmethyl)propanamide
組成式:C11 H13 N3 O
SMILES:CCC(=O)NCc1ccc2[nH]ncc2c1
InChi:InChI=1S/C11H13N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h3-5,7H,2,6H2,1H3,(H,12,15)(H,13,14)
別名:N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor)
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(1~{H}-indazol-5-ylmethyl)propanamide
NXL
NXL
表記:(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
組成式:C7 H13 N3 O6 S
SMILES:O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O
InChi:InChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1
別名:avibactam, bound form
定義日:2012-01-25
最終更新日:2024-09-27
識別子（ID）:(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
NXN
NXN
表記:2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE
組成式:C10 H11 Cl2 N O2 S
SMILES:Clc1cc(Cl)ccc1OCC(=O)NCCS
InChi:InChI=1S/C10H11Cl2NO2S/c11-7-1-2-9(8(12)5-7)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)
別名:DICA
定義日:2004-02-27
最終更新日:2024-09-27
識別子（ID）:2-(2,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide
NXT
NXT
表記:4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
組成式:C9 H10 O3
SMILES:OC(=O)c1coc2CCCCc12
InChi:InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)
定義日:2020-01-07
最終更新日:2024-09-27
公開日:2020-11-25
識別子（ID）:4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
NXU
NXU
表記:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C19 H22 N2 O5 S
SMILES:O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O
InChi:InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
定義日:2014-09-12
最終更新日:2024-09-27
公開日:2014-09-24
識別子（ID）:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
8E7
8E7
表記:2-(decylamino)ethane-1-thiol
組成式:C12 H27 N S
SMILES:CCCCCCCCCCNCCS
InChi:InChI=1S/C12H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h13-14H,2-12H2,1H3
定義日:2017-01-27
最終更新日:2024-09-27
公開日:2017-06-14
識別子（ID）:2-(decylamino)ethane-1-thiol
8E8
8E8
表記:1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
組成式:C25 H26 N6 O2
SMILES:CCC(=O)N1CCC[CH](C1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
InChi:InChI=1S/C25H26N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h3-5,8-13,16,18H,2,6-7,14-15H2,1H3,(H2,26,27,28)/t18-/m1/s1
別名:Ibrutinib (bound form)
定義日:2016-10-20
最終更新日:2024-09-27
公開日:2017-05-24
識別子（ID）:1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
NY0
NY0
表記:1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
組成式:C11 H12 N2 O2
SMILES:CCC(=O)N1CC(=Nc2ccccc12)O
InChi:InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
別名:4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
NYB
NYB
表記:N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE
組成式:C8 H17 N O2 S
SMILES:O=C(O)C(NC)CSC(CC)C
InChi:InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
定義日:2010-07-14
最終更新日:2024-09-27
識別子（ID）:N-methyl-S-[(1R)-1-methylpropyl]-L-cysteine
NYG
NYG
表記:[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
組成式:C15 H16 N4 O5
SMILES:O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:InChI=1S/C15H16N4O5/c16-10(6-12(17)21)14-18-11(15(24)19(14)7-13(22)23)5-8-1-3-9(20)4-2-8/h1-5,10,20H,6-7,16H2,(H2,17,21)(H,22,23)/b11-5-/t10-/m0/s1
別名:CHROMOPHORE (ASN-TYR-GLY)
定義日:2007-01-19
最終更新日:2024-09-27
識別子（ID）:{(4Z)-2-[(1S)-1,3-diamino-3-oxopropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
NYQ
NYQ
表記:5-bromanyl-1,3-dihydroindol-2-one
組成式:C8 H6 Br N O
SMILES:Brc1ccc2NC(=O)Cc2c1
InChi:InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
定義日:2020-01-10
最終更新日:2024-09-27
公開日:2020-11-25
識別子（ID）:5-bromanyl-1,3-dihydroindol-2-one
NYS
NYS
表記:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
組成式:C11 H16 N2 O5 S
SMILES:O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN
InChi:InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1
定義日:2007-10-08
最終更新日:2024-09-27
識別子（ID）:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
NYX
NYX
表記:2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
組成式:C10 H10 Cl N3 O
SMILES:ClCC(=O)NCc1ccc2[nH]ncc2c1
InChi:InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
定義日:2022-08-25
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
NZ6
NZ6
表記:1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
組成式:C27 H28 Cl N5 O
SMILES:CCC(=O)N1CC2(CC(C2)n3nc(c4ccccc4)c(c3C)c5c(Cl)c(C)cc6[nH]ncc56)C1
InChi:InChI=1S/C27H28ClN5O/c1-4-22(34)32-14-27(15-32)11-19(12-27)33-17(3)23(26(31-33)18-8-6-5-7-9-18)24-20-13-29-30-21(20)10-16(2)25(24)28/h5-10,13,19H,4,11-12,14-15H2,1-3H3,(H,29,30)
別名:[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor)
定義日:2022-08-25
最終更新日:2024-09-27
公開日:2022-12-07
識別子（ID）:1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
8FQ
8FQ
表記:~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide
組成式:C24 H27 F N6 O3
SMILES:COc1cccc2n(C)c(nc12)[CH](CCCNC(=N)CF)NC(=O)c3cccc4CNC(=O)c34
InChi:InChI=1S/C24H27FN6O3/c1-31-17-9-4-10-18(34-2)21(17)30-22(31)16(8-5-11-27-19(26)12-25)29-23(32)15-7-3-6-14-13-28-24(33)20(14)15/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H2,26,27)(H,28,33)(H,29,32)/t16-/m0/s1
定義日:2017-02-06
最終更新日:2024-09-27
公開日:2017-05-24
識別子（ID）:~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide

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