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U55
U55
表記:4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE
組成式:C10 H11 N5 O2 S
SMILES:O=S(=O)(N)c2ccc(Nc1ncnc(N)c1)cc2
InChi:InChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
定義日:2001-08-21
最終更新日:2011-06-04
識別子（ID）:4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide
Z74
Z74
表記:N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
組成式:C34 H42 F2 N4 O5 S
SMILES:O=S(=O)(c1ccccc1)N2CC(NCC2)C(O)C(NC(=O)c3cc(cc(C(=O)N(CCC)CCC)c3)C)Cc4cc(F)cc(F)c4
InChi:InChI=1S/C34H42F2N4O5S/c1-4-12-39(13-5-2)34(43)26-16-23(3)15-25(20-26)33(42)38-30(19-24-17-27(35)21-28(36)18-24)32(41)31-22-40(14-11-37-31)46(44,45)29-9-7-6-8-10-29/h6-10,15-18,20-21,30-32,37,41H,4-5,11-14,19,22H2,1-3H3,(H,38,42)/t30-,31+,32-/m0/s1
定義日:2010-02-26
最終更新日:2011-06-04
識別子（ID）:N'-{(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]propan-2-yl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Z75
Z75
表記:N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
組成式:C35 H44 F2 N4 O3
SMILES:CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CCN3)Cc4ccccc4
InChi:InChI=1S/C35H44F2N4O3/c1-4-12-41(13-5-2)35(44)28-16-24(3)15-27(20-28)34(43)39-31(19-26-17-29(36)21-30(37)18-26)33(42)32-23-40(14-11-38-32)22-25-9-7-6-8-10-25/h6-10,15-18,20-21,31-33,38,42H,4-5,11-14,19,22-23H2,1-3H3,(H,39,43)/t31-,32+,33-/m0/s1
定義日:2010-02-26
最終更新日:2011-06-04
識別子（ID）:N1-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(phenylmethyl)piperazin-2-yl]propan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
O04
O04
表記:(E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide
組成式:C13 H17 N3 O2
SMILES:N(/OC1OCCCC1)=Cc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C13H17N3O2/c14-13(15)11-6-4-10(5-7-11)9-16-18-12-3-1-2-8-17-12/h4-7,9,12H,1-3,8H2,(H3,14,15)/b16-9+/t12-/m0/s1
定義日:2009-10-08
最終更新日:2011-06-04
識別子（ID）:4-[(E)-{[(2S)-tetrahydro-2H-pyran-2-yloxy]imino}methyl]benzenecarboximidamide
TCD
TCD
表記:3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE
組成式:C16 H8 Cl4 N2 O2
SMILES:Clc3cc(Cl)cnc3Oc2ccc(Oc1ncc(Cl)cc1Cl)cc2
InChi:InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
定義日:2004-10-27
最終更新日:2011-06-04
識別子（ID）:2,2'-[benzene-1,4-diylbis(oxy)]bis(3,5-dichloropyridine)
TRJ
TRJ
表記:META-DI(AMINOMETHYL)BENZENE
組成式:C8 H12 N2
SMILES:NCc1cccc(c1)CN
InChi:InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
定義日:2000-09-12
最終更新日:2011-06-04
識別子（ID）:benzene-1,3-diyldimethanamine
TCZ
TCZ
表記:1,3,5-TRICHLORO-BENZENE
組成式:C6 H3 Cl3
SMILES:Clc1cc(Cl)cc(Cl)c1
InChi:InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
定義日:2002-01-09
最終更新日:2011-06-04
識別子（ID）:1,3,5-trichlorobenzene
O13
O13
表記:(E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide
組成式:C14 H20 N4 O
SMILES:N(/OC1CCCN(C)C1)=Cc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C14H20N4O/c1-18-8-2-3-13(10-18)19-17-9-11-4-6-12(7-5-11)14(15)16/h4-7,9,13H,2-3,8,10H2,1H3,(H3,15,16)/b17-9+/t13-/m1/s1
定義日:2009-10-08
最終更新日:2011-06-04
識別子（ID）:4-[(E)-({[(3R)-1-methylpiperidin-3-yl]oxy}imino)methyl]benzenecarboximidamide
O14
O14
表記:(E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide
組成式:C14 H20 N4 O
SMILES:N(/OC1CCN(C)CC1)=Cc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+
定義日:2009-10-08
最終更新日:2011-06-04
識別子（ID）:4-[(E)-{[(1-methylpiperidin-4-yl)oxy]imino}methyl]benzenecarboximidamide
ZAB
ZAB
表記:(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
組成式:C15 H15 N3 O2
SMILES:O=C(O)Cc2cccc(N=N/c1cccc(c1)CN)c2
InChi:InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17-
定義日:2006-06-01
最終更新日:2011-06-04
識別子（ID）:(3-{(Z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
S58
S58
表記:1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE
組成式:C16 H11 Br F3 N3 O2 S
SMILES:O=S(=O)(c3ccc(n1nc(cc1c2ccc(Br)cc2)C(F)(F)F)cc3)N
InChi:InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
TSU
TSU
表記:PARA-TOLUENE SULFONATE
組成式:C7 H8 O3 S
SMILES:O=S(=O)(O)c1ccc(cc1)C
InChi:InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-methylbenzenesulfonic acid
PCB
PCB
表記:4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL
組成式:C14 H10 Cl4 O4 S2
SMILES:Clc2cc(c(Cl)cc2c1c(Cl)cc(c(Cl)c1)S(=O)(=O)C)S(=O)(=O)C
InChi:InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl
UNI
UNI
表記:4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE
組成式:C28 H28 N2 O5 S
SMILES:N#Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCCC4)C5CC5
InChi:InChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2/t25-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-cyano-N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide
S6I
S6I
表記:4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide
組成式:C12 H17 N3 O3 S
SMILES:O=C(Nc1ccc(cc1)S(=O)(=O)N)NC2CCCC2
InChi:InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
定義日:2010-05-26
最終更新日:2011-06-04
識別子（ID）:4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide
YAN
YAN
表記:1,2-DICHLOROBENZENE
組成式:C6 H4 Cl2
SMILES:Clc1ccccc1Cl
InChi:InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
定義日:2007-02-12
最終更新日:2011-06-04
識別子（ID）:1,2-dichlorobenzene
VHD
VHD
表記:4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL
組成式:C18 H19 N O3
SMILES:O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccccc2C3
InChi:InChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3
定義日:2010-03-30
最終更新日:2011-06-04
識別子（ID）:4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol
NP1
NP1
表記:N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE
組成式:C10 H15 N3 O2
SMILES:[O-][N+](=O)c1cc(ccc1NCCCN)C
InChi:InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3
定義日:2005-01-17
最終更新日:2011-06-04
識別子（ID）:N-(4-methyl-2-nitrophenyl)propane-1,3-diamine
NP2
NP2
表記:N-(3-AMINOPROPYL)-2-NITROBENZENAMINE
組成式:C9 H13 N3 O2
SMILES:[O-][N+](=O)c1ccccc1NCCCN
InChi:InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2
定義日:2005-01-17
最終更新日:2011-06-04
識別子（ID）:N-(2-nitrophenyl)propane-1,3-diamine
T13
T13
表記:2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
組成式:C13 H7 F6 N O3 S
SMILES:Fc1cc(ccc1OC)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F
InChi:InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3
定義日:2009-05-28
最終更新日:2011-06-04
識別子（ID）:2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
ZEN
ZEN
表記:[4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE
組成式:C25 H27 Cl N4 O3 S
SMILES:Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CCN(C(=O)C4CCN(c3ccncc3)CC4)CC5
InChi:InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-18-24(4-2-20(21)17-22)34(32,33)30-15-13-29(14-16-30)25(31)19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,17-19H,7-8,11-16H2
定義日:1999-08-24
最終更新日:2011-06-04
識別子（ID）:1-[(6-chloronaphthalen-2-yl)sulfonyl]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonyl]piperazine
NPP
NPP
表記:N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE
組成式:C17 H27 N6 O5
SMILES:[O-]N2C(CC(Nc1cc(NCCN)c([N+]([O-])=O)cc1[N+]([O-])=O)CC2(C)C)(C)C
InChi:InChI=1S/C17H27N6O5/c1-16(2)9-11(10-17(3,4)23(16)28)20-13-7-12(19-6-5-18)14(21(24)25)8-15(13)22(26)27/h7-8,11,19-20H,5-6,9-10,18H2,1-4H3/q-1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-2,2,6,6-tetramethylpiperidin-1-olate
WWV
WWV
表記:4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
組成式:C16 H19 N3 O3 S
SMILES:O=S(=O)(N)c2ccc(NC(=O)Nc1ccccc1C(C)C)cc2
InChi:InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
定義日:2010-05-26
最終更新日:2011-06-04
識別子（ID）:4-({[2-(propan-2-yl)phenyl]carbamoyl}amino)benzenesulfonamide
WWZ
WWZ
表記:4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide
組成式:C13 H12 F N3 O3 S
SMILES:O=S(=O)(N)c2ccc(NC(=O)Nc1ccc(F)cc1)cc2
InChi:InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
定義日:2010-05-26
最終更新日:2011-06-04
識別子（ID）:4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide
VIR
VIR
表記:VIRGINIAMYCIN M1
組成式:C28 H35 N3 O7
SMILES:O=C2N1C(=CCC1)C(=O)OC(C(C=CC(=O)NCC=CC(=CC(O)CC(=O)Cc3nc2co3)C)C)C(C)C
InChi:InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1
定義日:2001-12-04
最終更新日:2011-06-04
識別子（ID）:(3R,4R,5E,10E,12E,14S)-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone

223532

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