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D1X
D1X
表記:2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid
組成式:C6 H5 N O4
SMILES:O=C1NC(=O)C=C(C(=O)O)C1
InChi:InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1H,2H2,(H,10,11)(H,7,8,9)
定義日:2010-06-01
最終更新日:2011-06-04
識別子（ID）:2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid
D2C
D2C
表記:(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-DODECAHYDROTETRACENE-2-CARBOXAMIDE
組成式:C21 H25 Cl N2 O7
SMILES:O=C1C4C(C(N(C)C)C(=O)C1C(=O)N)CC3C(C(O)c2c(c(Cl)ccc2O)C3O)C4O
InChi:InChI=1S/C21H25ClN2O7/c1-24(2)15-6-5-7-11(17(27)10(6)19(29)14(20(15)30)21(23)31)18(28)13-9(25)4-3-8(22)12(13)16(7)26/h3-4,6-7,10-11,14-18,25-28H,5H2,1-2H3,(H2,23,31)/t6-,7+,10-,11+,14+,15+,16+,17+,18-/m1/s1
定義日:2006-04-21
最終更新日:2011-06-04
識別子（ID）:(2S,4S,4aR,5aS,6S,11R,11aS,12R,12aR)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide
D30
D30
表記:[(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
組成式:C31 H29 F3 O5 S
SMILES:FC(F)(F)c4ccc(OCc3ccc(Sc1c2c(c(OCC(=O)O)cc1)CCCC2)c(OCC#CCC)c3)cc4
InChi:InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36)
定義日:2009-04-13
最終更新日:2011-06-04
識別子（ID）:[(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
D3X
D3X
表記:N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide
組成式:C17 H26 N2 O11 S
SMILES:O=S(=O)(c1ccc(OC)cc1)N(CCOC2OC(C(O)C(O)C2O)CO)CC(=O)NO
InChi:InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1
定義日:2010-06-01
最終更新日:2011-06-04
識別子（ID）:N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide
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
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
KTL
KTL
表記:(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
組成式:C12 H24 O12 S2
SMILES:OC[CH](O)[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12+,25-/m0/s1
定義日:2010-01-14
最終更新日:2011-06-04
識別子（ID）:[(2S,3S,4R,5R,6S)-1-[(1S,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6,7-pentahydroxy-heptan-3-yl] sulfate
KX2
KX2
表記:(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
組成式:C34 H50 N4 O8
SMILES:O=C2C3=C(NCCN1CCCC1)C(=O)C=C2NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C3)C)C
InChi:InChI=1S/C34H50N4O8/c1-20-16-24-29(36-12-15-38-13-7-8-14-38)26(39)19-25(31(24)41)37-33(42)21(2)10-9-11-27(44-5)32(46-34(35)43)23(4)18-22(3)30(40)28(17-20)45-6/h9-11,18-20,22,27-28,30,32,36,40H,7-8,12-17H2,1-6H3,(H2,35,43)(H,37,42)/b11-9-,21-10+,23-18+/t20-,22+,27+,28+,30-,32+/m1/s1
定義日:2010-12-29
最終更新日:2011-06-04
識別子（ID）:(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
KYT
KYT
表記:(3AS,4S,6AR)-4-(5-((3R,4R)-3,4-DIAMINOPYRROLIDIN-1-YL)-5-OXOPENTYL)TETRAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-2(3H)-ONE-P-CYMENE-CHLORO-RUTHENIUM(III)
組成式:C24 H39 Cl N5 O2 Ru S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)N7CC6N[Ru+]45(Cl)(C3=CC5(=CC4=C3C)C(C)C)NC6C7
InChi:InChI=1S/C14H25N5O2S.C10H14.ClH.Ru/c15-8-5-19(6-9(8)16)12(20)4-2-1-3-11-13-10(7-22-11)17-14(21)18-13
定義日:2009-08-10
最終更新日:2011-06-04
識別子（ID）:chloro[(3aS,4S,6aR)-4-{5-[(3R,4R)-3,4-di(amino-kappaN)pyrrolidin-1-yl]-5-oxopentyl}tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one][1-methyl-4-(propan-2-yl)benzene-kappa~3~C~2~,C~4~,C~6~]ruthenium(1+)
0NF
0NF
表記:(2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
組成式:C29 H29 F3 N4 O3
SMILES:FC(F)(F)c1cc(cc(c1)NC(=O)C5Cc4cc(Oc2ccnc3c2CCC(=O)N3)ccc4CC5)C(N)(C)C
InChi:InChI=1S/C29H29F3N4O3/c1-28(2,33)19-13-20(29(30,31)32)15-21(14-19)35-27(38)17-4-3-16-5-6-22(12-18(16)11-17)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h5-6,9-10,12-15,17H,3-4,7-8,11,33H2,1-2H3,(H,35,38)(H,34,36,37)/t17-/m0/s1
定義日:2011-02-04
最終更新日:2011-06-04
識別子（ID）:(2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
JZ9
JZ9
表記:4,5,6,7-tetrahydro-1H-indole
組成式:C8 H11 N
SMILES:C1CCc2cc[nH]c2C1
InChi:InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2
定義日:2009-06-16
最終更新日:2011-06-04
識別子（ID）:4,5,6,7-tetrahydro-1H-indole
JZB
JZB
表記:(5E,9E,11E)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime]
組成式:C24 H29 Cl N2 O6
SMILES:O=C2OCCC=CCCC=CC(=NOCC(=O)N1CCCCC1)Cc3c2c(O)cc(O)c3Cl
InChi:InChI=1S/C24H29ClN2O6/c25-23-18-14-17(26-33-16-21(30)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-32-24(31)22(18)19(28)15-20(23)29/h2,4,6,10,15,28-29H,1,3,5,7-9,11-14,16H2/b4-2+,10-6+,26-17-
定義日:2009-08-14
最終更新日:2011-06-04
識別子（ID）:(5E,9E,11E)-13-chloro-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one
JZC
JZC
表記:(5E,9E,11E)-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime]
組成式:C24 H30 N2 O6
SMILES:O=C2OCCC=CCCC=CC(=NOCC(=O)N1CCCCC1)Cc3cc(O)cc(O)c23
InChi:InChI=1S/C24H30N2O6/c27-20-15-18-14-19(25-32-17-22(29)26-11-7-5-8-12-26)10-6-3-1-2-4-9-13-31-24(30)23(18)21(28)16-20/h2,4,6,10,15-16,27-28H,1,3,5,7-9,11-14,17H2/b4-2+,10-6+,25-19-
定義日:2009-08-14
最終更新日:2011-06-04
識別子（ID）:(5E,9E,11E)-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one
JZJ
JZJ
表記:(3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline
組成式:C18 H16 Br N3
SMILES:Brc1ccc(cc1)c2nc(nc2)C4NCc3ccccc3C4
InChi:InChI=1S/C18H16BrN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,11,16,20H,9-10H2,(H,21,22)/t16-/m0/s1
定義日:2009-10-05
最終更新日:2011-06-04
識別子（ID）:(3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline
K01
K01
表記:N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
組成式:C18 H22 N2 O2 S2
SMILES:O=C(c1c3c(sc1NC(=O)c2sccc2)CCCC3)N(CC)CC
InChi:InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)
定義日:2007-04-26
最終更新日:2011-06-04
識別子（ID）:N,N-diethyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
K02
K02
表記:(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
組成式:C19 H24 N2 O2 S2
SMILES:O=C(c1c3c(sc1NC(=O)c2sccc2)CCC(C3)C)N(CC)CC
InChi:InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)/t12-/m1/s1
定義日:2007-04-07
最終更新日:2011-06-04
識別子（ID）:(5R)-N,N-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
K03
K03
表記:N,N-DIETHYL-5,5-DIMETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
組成式:C20 H26 N2 O2 S2
SMILES:O=C(c1c3c(sc1NC(=O)c2sccc2)CCC(C3)(C)C)N(CC)CC
InChi:InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-12-20(3,4)10-9-14(13)26-18(16)21-17(23)15-8-7-11-25-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)
定義日:2007-04-10
最終更新日:2011-06-04
識別子（ID）:N,N-diethyl-5,5-dimethyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
K17
K17
表記:4,5,6,7-TETRABROMO-BENZIMIDAZOLE
組成式:C7 H2 Br4 N2
SMILES:Brc2c1c(ncn1)c(Br)c(Br)c2Br
InChi:InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
定義日:2007-03-12
最終更新日:2011-06-04
識別子（ID）:4,5,6,7-tetrabromo-1H-benzimidazole
K22
K22
表記:4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE
組成式:C7 H2 Br4 N2 S
SMILES:Brc1c2c(c(Br)c(Br)c1Br)NC(=S)N2
InChi:InChI=1S/C7H2Br4N2S/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
定義日:2007-03-12
最終更新日:2011-06-04
識別子（ID）:4,5,6,7-tetrabromo-1,3-dihydro-2H-benzimidazole-2-thione
K2C
K2C
表記:6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
組成式:C20 H13 N3 O
SMILES:O=C5c4c1c6c(nc1c3c(c2ccccc2n3)c4CN5)cccc6
InChi:InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
定義日:2007-09-04
最終更新日:2011-06-04
識別子（ID）:6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
K32
K32
表記:4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE
組成式:C7 H2 Br4 N2 O
SMILES:Brc1c2c(c(Br)c(Br)c1Br)NC(=O)N2
InChi:InChI=1S/C7H2Br4N2O/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
定義日:2007-02-21
最終更新日:2011-06-04
識別子（ID）:4,5,6,7-tetrabromo-1,3-dihydro-2H-benzimidazol-2-one
K66
K66
表記:[4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid
組成式:C11 H9 Br4 N3 O2
SMILES:CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CC(O)=O
InChi:InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]ethanoic acid
K68
K68
表記:(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid
組成式:C9 H4 Br4 N2 O2
SMILES:OC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
InChi:InChI=1S/C9H4Br4N2O2/c10-4-5(11)7(13)9-8(6(4)12)14-2-15(9)1-3(16)17/h2H,1H2,(H,16,17)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:2-(4,5,6,7-tetrabromobenzimidazol-1-yl)ethanoic acid
E4H
E4H
表記:(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE
組成式:C17 H28 O4
SMILES:O=C1OC(C(C=CC(=O)C(CC(C)C(O)C1C)C)C)CC
InChi:InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1
定義日:2006-06-29
最終更新日:2011-06-04
識別子（ID）:(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione

222415

件を2024-07-10に公開中

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