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81Y
81Y
表記:3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole
組成式:C19 H22 N4 O2
SMILES:CC(C)Oc1cc2c(cc1)nnc2c3ccnc(c3)N4CCOCC4
InChi:InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
別名:MLi-2
定義日:2016-12-15
最終更新日:2021-03-01
公開日:2017-03-15
識別子（ID）:3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole
NGO
NGO
表記:2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE
組成式:C8 H14 N O5
SMILES:O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C
InChi:InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1
別名:N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE
定義日:2000-08-25
最終更新日:2021-03-01
識別子（ID）:(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-1-ium
NGQ
NGQ
表記:N-carbamimidoyl-L-glutamic acid
組成式:C6 H11 N3 O4
SMILES:O=C(O)C(NC(=[N@H])N)CCC(=O)O
InChi:InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1
別名:N-Guanidino-L-Glutamate
定義日:2010-04-12
最終更新日:2021-03-01
識別子（ID）:N-carbamimidoyl-L-glutamic acid
NGV
NGV
表記:METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE
組成式:C21 H14 O7
SMILES:O=C1c4c(C(=O)c2c1cccc2O)c(O)c3c(C(=C(C)CC3=O)C(=O)OC)c4
InChi:InChI=1S/C21H14O7/c1-8-6-13(23)16-10(14(8)21(27)28-2)7-11-17(20(16)26)19(25)15-9(18(11)24)4-3-5-12(15)22/h3-5,7,22,26H,6H2,1-2H3
別名:NOGALAVIKETONE
定義日:2004-03-09
最終更新日:2021-03-01
識別子（ID）:methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
82R
82R
表記:(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol
組成式:C27 H44 O4
SMILES:C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]4(C)[CH]3[CH]2C
InChi:InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1
別名:rockogenin
定義日:2017-03-28
最終更新日:2021-03-01
公開日:2017-06-07
識別子（ID）:(1~{R},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},10~{R},12~{S},13~{S},16~{S},18~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol
NHC
NHC
表記:(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
組成式:C10 H14 O5
SMILES:O=C(O)C1(C(C(=O)O)(C)C2OC1CC2)C
InChi:InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10-
別名:Cantharidic acid
定義日:2009-05-07
最終更新日:2021-03-01
識別子（ID）:(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
NHL
NHL
表記:(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID
組成式:C16 H17 N O4
SMILES:O=C(O)C(N)CC(C(=O)O)Cc2ccc1c(cccc1)c2
InChi:InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1
別名:GAMMA-2-NAPHTHYLMETHYL-D-GLUTAMIC ACID
定義日:2007-01-18
最終更新日:2021-03-01
識別子（ID）:(4S)-4-(naphthalen-2-ylmethyl)-D-glutamic acid
NIL
NIL
表記:Nilotinib
組成式:C28 H22 F3 N7 O
SMILES:FC(F)(F)c1cc(cc(c1)n2cc(nc2)C)NC(=O)c5ccc(c(Nc4nc(c3cccnc3)ccn4)c5)C
InChi:InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
別名:4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
定義日:2008-04-11
最終更新日:2021-03-01
識別子（ID）:4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
843
843
表記:N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE
組成式:C30 H34 N3 O7 P
SMILES:O=P(O)(O)Oc1ccc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1
別名:RU81843
定義日:2003-06-20
最終更新日:2021-03-01
識別子（ID）:Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-O-phosphono-L-tyrosinamide
NIZ
NIZ
表記:pyridine-4-carbohydrazide
組成式:C6 H7 N3 O
SMILES:O=C(NN)c1ccncc1
InChi:InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
別名:isonicotinic acid hydrazid
定義日:2010-05-21
最終更新日:2021-03-01
識別子（ID）:pyridine-4-carbohydrazide
852
852
表記:2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID
組成式:C34 H35 N3 O9
SMILES:O=C(O)C(C(=O)O)c1c(C(=O)O)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1
別名:RU85052
定義日:2003-06-20
最終更新日:2021-03-01
識別子（ID）:{4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-carboxyphenyl}propanedioic acid
85X
85X
表記:12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
組成式:C24 H18 N4 O
SMILES:Cn1c2ccccc2c3c1c4n(CCC#N)c5ccccc5c4c6CNC(=O)c36
InChi:InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
別名:Go 6976
定義日:2017-04-21
最終更新日:2021-03-01
公開日:2017-10-11
NLI
NLI
表記:N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide
組成式:C18 H23 F2 N7 O3
SMILES:O=C(NCCONC(=[N@H])N)CN1C(=CN=C(C1=O)NCC(F)(F)c2ccccc2)C
InChi:InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)
別名:RWJ-671818
定義日:2010-04-15
最終更新日:2021-03-01
識別子（ID）:N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide
NLN
NLN
表記:NORLEUCINE AMIDE
組成式:C6 H14 N2 O
SMILES:O=C(N)C(N)CCCC
InChi:InChI=1S/C6H14N2O/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1
別名:2-AMINO-HEXANOIC ACID AMIDE
定義日:2000-02-02
最終更新日:2021-03-01
識別子（ID）:L-norleucinamide
NLP
NLP
表記:(1-AMINO-PENTYL)-PHOSPHONIC ACID
組成式:C5 H14 N O3 P
SMILES:O=P(O)(O)C(N)CCCC
InChi:InChI=1S/C5H14NO3P/c1-2-3-4-5(6)10(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m1/s1
別名:NORLEUCINE PHOSPHONATE
定義日:1999-07-28
最終更新日:2021-03-01
識別子（ID）:[(1R)-1-aminopentyl]phosphonic acid
NLX
NLX
表記:(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM
組成式:C20 H24 N O4
SMILES:O=C5C3Oc1c2c(ccc1O)CC4C(O)(C23CC[N+]4(C)C/C=C)CC5
InChi:InChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21-/m1/s1
別名:N-METHYLNALOXONIUM
定義日:2002-10-24
最終更新日:2021-03-01
識別子（ID）:(5alpha,17S)-3,14-dihydroxy-17-methyl-6-oxo-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium
NM1
NM1
表記:3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE
組成式:C34 H37 N3 O7 S
SMILES:O=S2(=O)N(C(C(O)C(O)C(N2Cc1cc(C(=O)NC)ccc1)COc3ccccc3)COc4ccccc4)Cc5ccccc5
InChi:InChI=1S/C34H37N3O7S/c1-35-34(40)27-15-11-14-26(20-27)22-37-31(24-44-29-18-9-4-10-19-29)33(39)32(38)30(23-43-28-16-7-3-8-17-28)36(45(37,41)42)21-25-12-5-2-6-13-25/h2-20,30-33,38-39H,21-24H2,1H3,(H,35,40)/t30-,31-,32+,33+/m1/s1
別名:AHA047
定義日:2000-10-30
最終更新日:2021-03-01
識別子（ID）:3-{[(3R,4S,5S,6R)-7-benzyl-4,5-dihydroxy-1,1-dioxido-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl}-N-methylbenzamide
NMG
NMG
表記:GUANIDINO ACETATE
組成式:C3 H7 N3 O2
SMILES:O=C(O)CNC(=[N@H])N
InChi:InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
別名:N-[AMINO(IMINO)METHYL]GLYCINE
定義日:2004-09-21
最終更新日:2021-03-01
識別子（ID）:N-carbamimidoylglycine
52W
52W
表記:(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
組成式:C29 H40 N2 O9 S
SMILES:N(CC(C)C)(S(c1ccc(OC)cc1)(=O)=O)CC(C(Cc2ccccc2)NC(OC4C3C(COC3OCC4)O)=O)O
InChi:InChI=1S/C29H40N2O9S/c1-19(2)16-31(41(35,36)22-11-9-21(37-3)10-12-22)17-24(32)23(15-20-7-5-4-6-8-20)30-29(34)40-26-13-14-38-28-27(26)25(33)18-39-28/h4-12,19,23-28,32-33H,13-18H2,1-3H3,(H,30,34)/t23-,24+,25-,26-,27-,28-/m0/s1
別名:GRL-015
定義日:2015-07-20
最終更新日:2021-03-01
公開日:2016-01-13
識別子（ID）:(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
NND
NND
表記:(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL
組成式:C15 H31 N O4
SMILES:OCC1N(CCCCCCCCC)CC(O)C(O)C1O
InChi:InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
別名:N-NONYL-DEOXYNOJIRIMYCIN
定義日:2007-06-18
最終更新日:2021-03-01
識別子（ID）:(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
53U
53U
表記:D-phenylalanyl-N-benzyl-L-prolinamide
組成式:C21 H25 N3 O2
SMILES:O=C(NCc1ccccc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1
別名:(2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-(phenylmethyl)pyrrolidine-2-carboxamide
定義日:2008-01-08
最終更新日:2021-03-01
識別子（ID）:D-phenylalanyl-N-benzyl-L-prolinamide
545
545
表記:[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER
組成式:C21 H33 N3 O9
SMILES:O=C(OCCCC)C(NC(=O)C(N)Cc1ccc(O)cc1)C2N(O)CC(O)C(O)(C2O)CO
InChi:InChI=1S/C21H33N3O9/c1-2-3-8-33-20(30)16(17-18(28)21(31,11-25)15(27)10-24(17)32)23-19(29)14(22)9-12-4-6-13(26)7-5-12/h4-7,14-18,25-28,31-32H,2-3,8-11,22H2,1H3,(H,23,29)/t14-,15-,16-,17-,18-,21-/m0/s1
別名:SB-243545
定義日:2001-07-05
最終更新日:2021-03-01
識別子（ID）:butyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoate
54H
54H
表記:5'-O-(D-valylsulfamoyl)adenosine
組成式:C15 H23 N7 O7 S
SMILES:O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C
InChi:InChI=1S/C15H23N7O7S/c1-6(2)8(16)14(25)21-30(26,27)28-3-7-10(23)11(24)15(29-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-8,10-11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8-,10-,11-,15-/m1/s1
別名:5'-O-(3-Methyl-2-aminobutyrylsulfamoyl) adenosine
定義日:2008-04-01
最終更新日:2021-03-01
識別子（ID）:5'-O-(D-valylsulfamoyl)adenosine
54K
54K
表記:7-methyl-3H-imidazo[4,5-c]pyridin-4-amine
組成式:C7 H8 N4
SMILES:n1c(c2c(c(c1)C)ncn2)N
InChi:InChI=1S/C7H8N4/c1-4-2-9-7(8)6-5(4)10-3-11-6/h2-3H,1H3,(H2,8,9)(H,10,11)
別名:3-deaza-3-methyladenine
定義日:2015-07-23
最終更新日:2021-03-01
公開日:2015-10-28
識別子（ID）:7-methyl-3H-imidazo[4,5-c]pyridin-4-amine
NOG
NOG
表記:13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE
組成式:C21 H28 O2
SMILES:O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC)CC4
InChi:InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
別名:NORGESTREL
定義日:2002-04-29
最終更新日:2021-03-01
識別子（ID）:(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

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件を2024-09-25に公開中

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