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EOB
EOB
表記:{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)
組成式:C10 H14 N2 O8 P2
SMILES:O=C(Nc1cccc(c1)NC(=O)CP(=O)(O)O)CP(=O)(O)O
InChi:InChI=1S/C10H14N2O8P2/c13-9(5-21(15,16)17)11-7-2-1-3-8(4-7)12-10(14)6-22(18,19)20/h1-4H,5-6H2,(H,11,13)(H,12,14)(H2,15,16,17)(H2,18,19,20)
別名:2,2'-(1,3-PHENYLENEBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID
定義日:2006-02-17
最終更新日:2021-03-13
識別子（ID）:{benzene-1,3-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
BP7
BP7
表記:1,1'-BIPHENYL-3,4-DIOL
組成式:C12 H10 O2
SMILES:Oc2ccc(c1ccccc1)cc2O
InChi:InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H
別名:3,4-DIHYDROXYBIPHENYL
定義日:2005-12-14
最終更新日:2021-03-13
識別子（ID）:biphenyl-3,4-diol
929
929
表記:N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
組成式:C44 H53 F2 N5 O8 S
SMILES:O=S(=O)(N(c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(=O)NCc2ccccc2)C(C)C)C)COCc3cc(F)cc(F)c3)C(=O)NC(c4ccccc4)C)C)C
InChi:InChI=1S/C44H53F2N5O8S/c1-27(2)40(44(56)47-24-30-13-9-7-10-14-30)50-41(53)28(3)17-39(52)38(26-59-25-31-18-35(45)23-36(46)19-31)49-43(55)34-20-33(21-37(22-34)51(5)60(6,57)58)42(54)48-29(4)32-15-11-8-12-16-32/h7-16,18-23,27-29,38-40,52H,17,24-26H2,1-6H3,(H,47,56)(H,48,54)(H,49,55)(H,50,53)/t28-,29-,38+,39+,40+/m1/s1
別名:N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-BENZYLOXYMETHYL)-2-HYDROXY-PENTYL]-5-[Methyl(METHANESULFONYL)Amino]-N'-(1-PHENYL-ETHYL)-ISOPHTHALAMIDE
定義日:2008-09-30
最終更新日:2021-03-13
識別子（ID）:N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-{[(3,5-difluorobenzyl)oxy]methyl}-2-hydroxy-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (non-preferred name)
CUF
CUF
表記:[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper (II)
組成式:C34 H38 Cu F2 N4 O4
SMILES:Fc8cc3c(N5=Cc7c(O[Cu]54Oc2cc(OCCN1CCCCC1)ccc2C=N34)cc(OCCN6CCCCC6)cc7)cc8F
InChi:InChI=1S/C34H40F2N4O4.Cu/c35-29-21-31(37-23-25-7-9-27(19-33(25)41)43-17-15-39-11-3-1-4-12-39)32(22-30(29)36)38-24-26-8-10-28(20-34(26)42)44-18-16-40-13-5-2-6-14-40
別名:N,N-Bis[4-[[1-(2-ethyl)piperidine]oxy]salicylidene]-4,5-difluoro-1,2-phenylenediamine-Copper (II)
定義日:2011-03-03
最終更新日:2021-03-13
識別子（ID）:[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper
CZM
CZM
表記:'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE'
組成式:C22 H20 N2 O2
SMILES:Oc3c(/C=N/c2ccccc2/N=C/c1cccc(c1O)C)cccc3C
InChi:InChI=1S/C22H20N2O2/c1-15-7-5-9-17(21(15)25)13-23-19-11-3-4-12-20(19)24-14-18-10-6-8-16(2)22(18)26/h3-14,25-26H,1-2H3/b23-13+,24-14+
別名:3,3'-ME2-SALOPHEN
定義日:2003-01-30
最終更新日:2021-03-13
識別子（ID）:2,2'-{benzene-1,2-diylbis[nitrilo(E)methylylidene]}bis(6-methylphenol)
D3F
D3F
表記:2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE
組成式:C14 H7 Cl2 F3 N2 O6 S
SMILES:2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene
InChi:InChI=1S/C14H7Cl2F3N2O6S/c1-6-2-12(9(16)5-8(6)15)28(26,27)13-10(20(22)23)3-7(14(17,18)19)4-11(13)21(24)25/h2-5H,1H3
別名:2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL) BENZENE
定義日:2006-05-15
最終更新日:2021-03-13
識別子（ID）:2,4-dichloro-5-methylphenyl 2,6-dinitro-4-(trifluoromethyl)phenyl sulfone
HS1
HS1
表記:2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide
組成式:C12 H16 N2 O7 S
SMILES:O=NC(=O)CN(S(=O)(=O)c1ccc(OC)cc1)CC(O)CO
InChi:InChI=1S/C12H16N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16H,6-8H2,1H3/t9-/m0/s1
別名:(S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
定義日:2008-11-04
最終更新日:2021-03-13
識別子（ID）:N~2~-[(2S)-2,3-dihydroxypropyl]-N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxoglycinamide
FSD
FSD
表記:amicetin
組成式:C29 H42 N6 O9
SMILES:CC1OC(CCC1OC2C(C(C(C(C)O2)N(C)C)O)O)N4C=CC(NC(=O)c3ccc(cc3)NC(C(C)(CO)N)=O)=NC4=O
InChi:InChI=1S/C29H42N6O9/c1-15-19(44-26-24(38)23(37)22(34(4)5)16(2)43-26)10-11-21(42-15)35-13-12-20(33-28(35)41)32-25(39)17-6-8-18(9-7-17)31-27(40)29(3,30)14-36/h6-9,12-13,15-16,19,21-24,26,36-38H,10-11,14,30H2,1-5H3,(H,31,40)(H,32,33,39,41)/t15-,16-,19+,21-,22-,23+,24-,26-,29+/m1/s1
別名:(4S)-N-{(4S)-1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl}-4-[(2-methyl-D-seryl)amino]cyclohexa-1,5-diene-1-carboxamide
定義日:2018-04-16
最終更新日:2021-03-13
公開日:2019-04-10
識別子（ID）:N-{1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-4-[(2-methyl-L-seryl)amino]benzamide
I3C
I3C
表記:5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
組成式:C8 H4 I3 N O4
SMILES:Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O
InChi:InChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
別名:5-Amino-2,4,6-triiodoisophthalic acid
定義日:2008-08-11
最終更新日:2021-03-13
識別子（ID）:5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
J90
J90
表記:4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide
組成式:C11 H11 N5 O5 S
SMILES:O=[N+]([O-])C1=C(N=CNC1=O)NCc2ccc(cc2)S(=O)(=O)N
InChi:InChI=1S/C11H11N5O5S/c12-22(20,21)8-3-1-7(2-4-8)5-13-10-9(16(18)19)11(17)15-6-14-10/h1-4,6H,5H2,(H2,12,20,21)(H2,13,14,15,17)
別名:4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide
定義日:2010-04-22
最終更新日:2021-03-13
識別子（ID）:4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide
SZV
SZV
表記:4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid
組成式:C20 H14 N4 O5
SMILES:c2(c(n1c(cncc1)n2)Nc3ccc(c(C(O)=O)c3)C(O)=O)c4c(cccc4)O
InChi:InChI=1S/C20H14N4O5/c25-15-4-2-1-3-13(15)17-18(24-8-7-21-10-16(24)23-17)22-11-5-6-12(19(26)27)14(9-11)20(28)29/h1-10,22,25H,(H,26,27)(H,28,29)
定義日:2020-03-16
最終更新日:2021-03-12
公開日:2021-03-17
識別子（ID）:4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid
U6G
U6G
表記:4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
組成式:C24 H20 Cl2 N2 O2
SMILES:c4(ccc(C(=O)NCc1ccc2c(c1)CCCN2C(=O)c3cccc(c3)Cl)cc4)Cl
InChi:InChI=1S/C24H20Cl2N2O2/c25-20-9-7-17(8-10-20)23(29)27-15-16-6-11-22-18(13-16)4-2-12-28(22)24(30)19-3-1-5-21(26)14-19/h1,3,5-11,13-14H,2,4,12,15H2,(H,27,29)
定義日:2020-04-28
最終更新日:2021-03-05
公開日:2021-03-10
識別子（ID）:4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
ZYX
ZYX
表記:4-(2-AMINOETHYL)BENZENESULFONAMIDE
組成式:C8 H12 N2 O2 S
SMILES:O=S(=O)(c1ccc(cc1)CCN)N
InChi:InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
別名:P-AMINOETHYL BENZENESULFONAMIDE
定義日:2006-10-30
最終更新日:2021-03-01
識別子（ID）:4-(2-aminoethyl)benzenesulfonamide
NSL
NSL
表記:4-Hydroxyazobenzene
組成式:C12 H10 N2 O
SMILES:c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
別名:4-[(E)-phenyldiazenyl]phenol
定義日:2019-04-15
最終更新日:2021-03-01
公開日:2019-07-24
識別子（ID）:4-[(E)-phenyldiazenyl]phenol
5P2
5P2
表記:3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
組成式:C24 H20 F3 N7 O3 S2
SMILES:CCN1CC(C1)n2nccc2c3cc(ccc3Oc4ccc(cc4C#N)[S](=O)(=O)Nc5sncn5)C(F)(F)F
InChi:InChI=1S/C24H20F3N7O3S2/c1-2-33-12-17(13-33)34-20(7-8-30-34)19-10-16(24(25,26)27)3-5-22(19)37-21-6-4-18(9-15(21)11-28)39(35,36)32-23-29-14-31-38-23/h3-10,14,17H,2,12-13H2,1H3,(H,29,31,32)
別名:GX-936
定義日:2015-11-03
最終更新日:2021-03-01
公開日:2015-12-23
識別子（ID）:3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PYG
PYG
表記:BENZENE-1,2,3-TRIOL
組成式:C6 H6 O3
SMILES:Oc1cccc(O)c1O
InChi:InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
別名:PYROGALLOL
定義日:2004-07-27
最終更新日:2021-03-01
識別子（ID）:benzene-1,2,3-triol
OBP
OBP
表記:2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID
組成式:C12 H10 O3 S
SMILES:O=S(O)c2c(c1ccccc1O)cccc2
InChi:InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)
別名:2'-HYDROXYBIPHENYL-2-SULFINIC ACID
定義日:2004-10-15
最終更新日:2021-03-01
識別子（ID）:2'-hydroxybiphenyl-2-sulfinic acid
TNL
TNL
表記:2,4,6-TRINITROTOLUENE
組成式:C7 H5 N3 O6
SMILES:O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1C)[N+]([O-])=O
InChi:InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
別名:TNT
定義日:2002-02-27
最終更新日:2021-03-01
識別子（ID）:2-methyl-1,3,5-trinitrobenzene
Z23
Z23
表記:DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE
組成式:C20 H19 F2 N5 O2
SMILES:Fc3c(Oc1cc(C(=[NH2+])N)ccc1)nc(Oc2cccc(C(=[NH2+])N)c2)c(F)c3C
InChi:InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+2
別名:ZK-805623
定義日:1999-08-30
最終更新日:2021-03-01
識別子（ID）:[(3,5-difluoro-4-methylpyridine-2,6-diyl)bis(oxybenzene-3,1-diyl)]bis(aminomethaniminium)
PA0
PA0
表記:Phenylarsine oxide
組成式:C6 H5 As O
SMILES:O=[As]c1ccccc1
InChi:InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
別名:oxo(phenyl)arsane
定義日:2008-08-13
最終更新日:2021-03-01
識別子（ID）:oxo(phenyl)arsane
YOM
YOM
表記:2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
組成式:C20 H14 Fe N2 O2
SMILES:O1c6c(C=[N+]2c5c([N+]3=Cc4ccccc4O[Fe]123)cccc5)cccc6
InChi:InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24
別名:SALOPHEN IRON CHELATE
定義日:2005-03-15
最終更新日:2021-03-01
識別子（ID）:[2,2'-{benzene-1,2-diylbis[(nitrilo-kappaN)methylylidene]}diphenolato(2-)-kappaO]iron(2+)
SYN
SYN
表記:ethenylbenzene
組成式:C8 H8
SMILES:C=Cc1ccccc1
InChi:InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
別名:styrene
定義日:2012-10-15
最終更新日:2021-03-01
公開日:2013-05-01
識別子（ID）:ethenylbenzene
WAY
WAY
表記:N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-BENZAMIDE
組成式:C21 H21 N3 O5 S
SMILES:O=C(NO)c3cccc(c3N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C
InChi:InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
別名:WAY-151693
定義日:2000-08-18
最終更新日:2021-03-01
識別子（ID）:N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](pyridin-3-ylmethyl)amino}-3-methylbenzamide
V2A
V2A
表記:neoseptin 3
組成式:C29 H34 N2 O4
SMILES:C(c1ccccc1)CC(C(OC(C)(C)C)=O)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N
InChi:InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1
別名:tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate
定義日:2020-06-17
最終更新日:2021-03-01
公開日:2020-07-01
識別子（ID）:tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate
OLW
OLW
表記:3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile
組成式:C17 H16 N6
SMILES:N#Cc1cccc(c1)CNCCc2nc(ncc2)n3ccnc3
InChi:InChI=1S/C17H16N6/c18-11-14-2-1-3-15(10-14)12-19-6-4-16-5-7-21-17(22-16)23-9-8-20-13-23/h1-3,5,7-10,13,19H,4,6,12H2
別名:2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-(3-cyanobenzyl)ethan-1-amine
定義日:2014-10-21
最終更新日:2021-03-01
公開日:2014-12-24
識別子（ID）:3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile

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