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ROK
ROK
表記:4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE
組成式:C9 H13 N3 O3 S2
SMILES:O=S(=O)(c1ccc(N)cc1)NC(=O)NCCS
InChi:InChI=1S/C9H13N3O3S2/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)11-5-6-16/h1-4,16H,5-6,10H2,(H2,11,12,13)
定義日:2008-05-09
最終更新日:2011-06-04
識別子（ID）:4-amino-N-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide
SHY
SHY
表記:4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
組成式:C24 H24 N4 O5
SMILES:O=C1N(C(=O)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CC(O)CC34)Cc5ccc6OCOc6c5
InChi:InChI=1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16+,19+,20+,21+/m1/s1
定義日:2004-05-24
最終更新日:2011-06-04
識別子（ID）:4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
KR1
KR1
表記:3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile
組成式:C22 H20 F N5 O3
SMILES:CC(C)C1=C(N(Cc2cc(N)nc(F)c2)C(=O)NC1=O)C(=O)c3cc(C)cc(c3)C#N
InChi:InChI=1S/C22H20FN5O3/c1-11(2)18-19(20(29)15-5-12(3)4-13(6-15)9-24)28(22(31)27-21(18)30)10-14-7-16(23)26-17(25)8-14/h4-8,11H,10H2,1-3H3,(H2,25,26)(H,27,30,31)
定義日:2010-01-13
最終更新日:2011-06-04
識別子（ID）:3-[3-[(2-azanyl-6-fluoro-pyridin-4-yl)methyl]-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile
N76
N76
表記:3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
組成式:C18 H22 N6 O3 S
SMILES:O=S(=O)(N)c1cccc(c1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4
InChi:InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-4-7-13(9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
定義日:2003-06-26
最終更新日:2011-06-04
識別子（ID）:3-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzenesulfonamide
870
870
表記:N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
組成式:C20 H15 Cl2 N3 O4 S
SMILES:Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(OC)cc(c3o2)c4cccc(N)c4
InChi:InChI=1S/C20H15Cl2N3O4S/c1-28-14-9-15(11-3-2-4-13(23)7-11)19-17(10-14)24-20(29-19)25-30(26,27)18-8-12(21)5-6-16(18)22/h2-10H,23H2,1H3,(H,24,25)
定義日:2006-01-25
最終更新日:2011-06-04
識別子（ID）:N-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide
KRP
KRP
表記:3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
組成式:C19 H21 N3 O3
SMILES:CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:InChI=1S/C19H21N3O3/c1-5-6-22-16(15(11(2)3)18(24)21-19(22)25)17(23)14-8-12(4)7-13(9-14)10-20/h7-9,11H,5-6H2,1-4H3,(H,21,24,25)
定義日:2010-01-15
最終更新日:2011-06-04
識別子（ID）:3-(2,6-dioxo-5-propan-2-yl-3-propyl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile
KRV
KRV
表記:3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
組成式:C18 H19 N3 O3
SMILES:CCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:InChI=1S/C18H19N3O3/c1-5-21-15(14(10(2)3)17(23)20-18(21)24)16(22)13-7-11(4)6-12(8-13)9-19/h6-8,10H,5H2,1-4H3,(H,20,23,24)
定義日:2010-01-15
最終更新日:2011-06-04
識別子（ID）:3-(3-ethyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile
OXE
OXE
表記:ORTHO-XYLENE
組成式:C8 H10
SMILES:c1cccc(c1C)C
InChi:InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1,2-dimethylbenzene
RRP
RRP
表記:3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
組成式:C20 H19 Cl N4 O3 S2
SMILES:O=C2N(Cc1cc(C(=[N@H])N)ccc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)ccc3c4
InChi:InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)
定義日:2003-01-27
最終更新日:2011-06-04
識別子（ID）:3-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
RS1
RS1
表記:4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE
組成式:C19 H20 Cl N O6 S
SMILES:O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)CC3(C(=O)NO)CCOCC3
InChi:InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-({[4-(4-chlorophenoxy)phenyl]sulfonyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
RS2
RS2
表記:N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE
組成式:C19 H21 N O6 S
SMILES:O=S(=O)(c2ccc(Oc1ccccc1)cc2)C3(CC(=O)NO)CCOCC3
InChi:InChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-hydroxy-2-{4-[(4-phenoxyphenyl)sulfonyl]tetrahydro-2H-pyran-4-yl}acetamide
REO
REO
表記:PERRHENATE
組成式:O4 Re
SMILES:[O-][Re](=O)(=O)=O
InChi:InChI=1S/4O.Re/q
定義日:2000-12-13
最終更新日:2011-06-04
識別子（ID）:oxido(trioxo)rhenium
NAB
NAB
表記:2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID
組成式:C17 H12 N2 O3
SMILES:O=C(O)c3ccccc3/N=N/c2c1ccccc1c(O)cc2
InChi:InChI=1S/C17H12N2O3/c20-16-10-9-15(11-5-1-2-6-12(11)16)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,20H,(H,21,22)/b19-18+
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzoic acid
NAF
NAF
表記:M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
組成式:C11 H15 F3 N O2
SMILES:FC(F)(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C
InChi:InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N,N,N-trimethyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)anilinium
SM9
SM9
表記:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
組成式:C31 H43 N5 O4 S
SMILES:O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(CCN(c3ncnc2c3cccc2)C4)C5
InChi:InChI=1S/C31H43N5O4S/c1-4-40-18-17-36(41(38,39)29-24(2)9-7-10-25(29)3)20-26(37)19-34-15-8-13-31(21-34)14-16-35(22-31)30-27-11-5-6-12-28(27)32-23-33-30/h5-7,9-12,23,26,37H,4,8,13-22H2,1-3H3/t26-,31+/m0/s1
定義日:2011-02-09
最終更新日:2011-06-04
識別子（ID）:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
SMH
SMH
表記:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide
組成式:C28 H38 N2 O7 S
SMILES:O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN4CCCC3(Oc2c(cc(O)cc2)C(=O)C3)C4
InChi:InChI=1S/C28H38N2O7S/c1-4-36-14-13-30(38(34,35)27-20(2)7-5-8-21(27)3)18-23(32)17-29-12-6-11-28(19-29)16-25(33)24-15-22(31)9-10-26(24)37-28/h5,7-10,15,23,31-32H,4,6,11-14,16-19H2,1-3H3/t23-,28+/m0/s1
定義日:2011-02-10
最終更新日:2011-06-04
識別子（ID）:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide
SML
SML
表記:PHENYL METHYL SULFONE
組成式:C7 H8 O2 S
SMILES:methyl phenyl sulfone
InChi:InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
定義日:1999-10-19
最終更新日:2011-06-04
識別子（ID）:(methylsulfonyl)benzene
P04
P04
表記:19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
組成式:C19 H21 N7 O
SMILES:O=C5Nc1cccc(c1)Nc3nc2c(cnn2c(n3)NC4CC4)CCCC5
InChi:InChI=1S/C19H21N7O/c27-16-7-2-1-4-12-11-20-26-17(12)24-18(25-19(26)23-13-8-9-13)22-15-6-3-5-14(10-15)21-16/h3,5-6,10-11,13H,1-2,4,7-9H2,(H,21,27)(H2,22,23,24,25)
定義日:2007-11-20
最終更新日:2011-06-04
識別子（ID）:19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
SMR
SMR
表記:N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
組成式:C29 H40 N4 O5 S
SMILES:O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(Oc3c(c2cnnc2cc3)CC4)C5
InChi:InChI=1S/C29H40N4O5S/c1-4-37-16-15-33(39(35,36)28-21(2)7-5-8-22(28)3)19-23(34)18-32-14-6-12-29(20-32)13-11-24-25-17-30-31-26(25)9-10-27(24)38-29/h5,7-10,17,23,34H,4,6,11-16,18-20H2,1-3H3,(H,30,31)/t23-,29+/m0/s1
定義日:2011-02-10
最終更新日:2011-06-04
識別子（ID）:N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
RTR
RTR
表記:4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
組成式:C20 H19 Cl N4 O3 S2
SMILES:O=C2N(Cc1ccc(C(=[N@H])N)cc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)ccc3c4
InChi:InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)
定義日:2003-01-31
最終更新日:2011-06-04
識別子（ID）:4-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
R11
R11
表記:4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE
組成式:C25 H25 N7
SMILES:[N@H]=C(N)c1ccc(cc1)NCc3nc2cc(ccc2n3C)Cn4c5ccccc5nc4C
InChi:InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
定義日:2000-11-24
最終更新日:2011-06-04
識別子（ID）:4-[({1-methyl-5-[(2-methyl-1H-benzimidazol-1-yl)methyl]-1H-benzimidazol-2-yl}methyl)amino]benzenecarboximidamide
R15
R15
表記:N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)
組成式:C21 H26 Cl2 N4 O6 S2
SMILES:O=S(=O)(c1cc(Cl)ccc1)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(Cl)c2
InChi:InChI=1S/C21H26Cl2N4O6S2/c22-16-8-6-10-18(14-16)34(30,31)26-20(28)24-12-4-2-1-3-5-13-25-21(29)27-35(32,33)19-11-7-9-17(23)15-19/h6-11,14-15H,1-5,12-13H2,(H2,24,26,28)(H2,25,27,29)
定義日:2008-04-09
最終更新日:2011-06-04
識別子（ID）:N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)
NBB
NBB
表記:N-BUTYL-BENZENESULFONAMIDE
組成式:C10 H15 N O2 S
SMILES:O=S(=O)(NCCCC)c1ccccc1
InChi:InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
定義日:2003-10-14
最終更新日:2011-06-04
識別子（ID）:N-butylbenzenesulfonamide
NBE
NBE
表記:NITROSOBENZENE
組成式:C6 H5 N O
SMILES:O=Nc1ccccc1
InChi:InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:nitrosobenzene
NBZ
NBZ
表記:NITROBENZENE
組成式:C6 H5 N O2
SMILES:[O-][N+](=O)c1ccccc1
InChi:InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:nitrobenzene

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