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FWY
FWY
表記:hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
組成式:C20 H19 N4 O5 S
SMILES:C(N1CCN(CC1)S(c2cccc3c2ccnc3)(=O)=O)(c4cccc([N+](O)=O)c4)=O
InChi:InChI=1S/C20H19N4O5S/c25-20(15-3-1-5-17(13-15)24(26)27)22-9-11-23(12-10-22)30(28,29)19-6-2-4-16-14-21-8-7-18(16)19/h1-8,13-14H,9-12H2,(H,26,27)/q+1
定義日:2018-04-23
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
ERJ
ERJ
表記:9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine
組成式:C14 H14 N4 O4 S
SMILES:n1c(c2c(nc1)n(cn2)C3C(O)C(C(O3)CO)O)c4cscc4
InChi:InChI=1S/C14H14N4O4S/c19-3-8-11(20)12(21)14(22-8)18-6-17-10-9(7-1-2-23-4-7)15-5-16-13(10)18/h1-2,4-6,8,11-12,14,19-21H,3H2/t8-,11-,12-,14-/m1/s1
定義日:2018-01-30
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine
ERP
ERP
表記:6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine
組成式:C24 H20 N4 O4
SMILES:n1c(c2c(nc1)n(cn2)C3C(O)C(C(O3)CO)O)C#Cc5ccc(c4ccccc4)cc5
InChi:InChI=1S/C24H20N4O4/c29-12-19-21(30)22(31)24(32-19)28-14-27-20-18(25-13-26-23(20)28)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,13-14,19,21-22,24,29-31H,12H2/t19-,21-,22-,24-/m1/s1
定義日:2018-01-30
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine
ERS
ERS
表記:(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol
組成式:C20 H24 N6 O4
SMILES:n1c(c2c(nc1)n(cn2)C3C(O)C(C(O3)CO)O)N4CCN(CC4)c5ccccc5
InChi:InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1
定義日:2018-01-30
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol (non-preferred name)
KKS
KKS
表記:3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one
組成式:C23 H17 N5 O2
SMILES:c5cc4cccc(CC=1C=C(O)C(NC=1c2ccc(cc2)c3nnnn3)=O)c4cc5
InChi:InChI=1S/C23H17N5O2/c29-20-13-18(12-17-6-3-5-14-4-1-2-7-19(14)17)21(24-23(20)30)15-8-10-16(11-9-15)22-25-27-28-26-22/h1-11,13,29H,12H2,(H,24,30)(H,25,26,27,28)
定義日:2019-01-02
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one
KKV
KKV
表記:4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid
組成式:C18 H12 F N O4
SMILES:O=C2C(O)=CC(c1ccc(cc1)C(=O)O)=C(N2)c3ccc(cc3)F
InChi:InChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
定義日:2019-01-02
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid
LRM
LRM
表記:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium
組成式:C56 H79 N20 O38 P6
SMILES:CN(c1ncnc2n(cnc12)C6C(C(C(COP(OP(OP(OCC3C(O)C(O)C(O3)n5c4NC(N)=NC(c4[n+](c5)C)=O)(O)=O)(O)=O)(=O)O)O6)OP(=O)(O)OCC9C(C(C(n8cnc7c(N)ncnc78)O9)OC)OP(O)(OCC%11C(C(OC)C(N%10C(=O)N=C(N)C=C%10)O%11)OP(=O)(OCC%12OC(C(OC)C%12O)N%13C=CC(N(C%13=O)C)=O)O)=O)OC)C
InChi:InChI=1S/C56H78N20O38P6/c1-69(2)44-31-46(63-19-61-44)75(21-65-31)53-42(99-8)38(27(109-53)17-104-119(92,93)114-120(94,95)113-118(90,91)103-13-23-33(78)35(80)49(105-23)76-22-70(3)32-47(76)67-54(59)68-48(32)81)112-117(88,89)102-16-26-37(41(98-7)52(108-26)74-20-64-30-43(58)60-18-62-45(30)74)111-116(86,87)101-15-25-36(40(97-6)51(107-25)72-11-9-28(57)66-55(72)82)110-115(84,85)100-14-24-34(79)39(96-5)50(106-24)73-12-10-29(77)71(4)56(73)83/h9-12,18-27,33-42,49-53,78-80H,13-17H2,1-8H3,(H12-,57,58,59,60,62,66,67,68,81,82,84,85,86,87,88,89,90,91,92,93,94,95)/p+1/t23-,24-,25-,26-,27-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,49-,50-,51-,52-,53-/m1/s1
定義日:2019-03-13
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium (non-preferred name)
LRP
LRP
表記:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium
組成式:C24 H36 N10 O17 P3
SMILES:n2c1c(ncnc1N(C)C)n(c2)C6OC(COP(=O)(O)OP(OP(O)(OCC3C(O)C(C(O3)n5c4N=C(N)NC(c4[n+](c5)C)=O)O)=O)(O)=O)C(C6OC)O
InChi:InChI=1S/C24H35N10O17P3/c1-31(2)18-12-19(27-7-26-18)33(8-28-12)23-17(45-4)15(36)11(49-23)6-47-53(41,42)51-54(43,44)50-52(39,40)46-5-10-14(35)16(37)22(48-10)34-9-32(3)13-20(34)29-24(25)30-21(13)38/h7-11,14-17,22-23,35-37H,5-6H2,1-4H3,(H5-,25,29,30,38,39,40,41,42,43,44)/p+1/t10-,11-,14-,15-,16-,17-,22-,23-/m1/s1
定義日:2019-03-13
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name)
EUQ
EUQ
表記:2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide
組成式:C27 H31 Cl N10 O2
SMILES:CCC(=O)NCCn1cc(CNCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)nn1
InChi:InChI=1S/C27H31ClN10O2/c1-3-24(39)31-12-13-38-17-20(36-37-38)15-30-14-18-8-10-19(11-9-18)33-27-32-16-22(28)25(35-27)34-23-7-5-4-6-21(23)26(40)29-2/h4-11,16-17,30H,3,12-15H2,1-2H3,(H,29,40)(H,31,39)(H2,32,33,34,35)
定義日:2018-04-19
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide
EUW
EUW
表記:2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide
組成式:C28 H29 Cl N8 O4
SMILES:CCC(=O)NCCNC1=C(NCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C(=O)C1=O
InChi:InChI=1S/C28H29ClN8O4/c1-3-21(38)31-12-13-32-22-23(25(40)24(22)39)33-14-16-8-10-17(11-9-16)35-28-34-15-19(29)26(37-28)36-20-7-5-4-6-18(20)27(41)30-2/h4-11,15,32-33H,3,12-14H2,1-2H3,(H,30,41)(H,31,38)(H2,34,35,36,37)
定義日:2018-04-19
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide
HZE
HZE
表記:5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
組成式:C22 H24 F2 N4 O2
SMILES:CC(C)Oc1cc(ccc1c2c([nH]c3cc(F)c(F)cc23)C(N)=O)N4CCNCC4
InChi:InChI=1S/C22H24F2N4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29)
定義日:2019-01-08
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
HZK
HZK
表記:(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide
組成式:C21 H19 Cl F N3 O4
SMILES:O[C]1(CCN(C1=O)c2ccc3NC(=O)CCc3c2)C(=O)NCc4cc(F)cc(Cl)c4
InChi:InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
定義日:2019-01-08
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide
HZW
HZW
表記:(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
組成式:C18 H16 Cl F N2 O3
SMILES:O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCc3cc(F)cc(Cl)c3
InChi:InChI=1S/C18H16ClFN2O3/c19-13-8-12(9-14(20)10-13)11-21-16(23)18(25)6-7-22(17(18)24)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,23)/t18-/m0/s1
定義日:2019-01-08
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
A5Y
A5Y
表記:6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
組成式:C21 H17 F N4 O2 S
SMILES:N3(C(c2cn(C1COC1)nc2N=C3SCc4cc(ccc4)F)=O)c5ccccc5
InChi:InChI=1S/C21H17FN4O2S/c22-15-6-4-5-14(9-15)13-29-21-23-19-18(10-25(24-19)17-11-28-12-17)20(27)26(21)16-7-2-1-3-8-16/h1-10,17H,11-13H2
定義日:2017-07-07
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
B8O
B8O
表記:2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
組成式:C21 H25 N5 O3
SMILES:C1(CN(CC(C1)NC2=Nc3c(C(N2C)=O)ncc3)C)c4cc5c(cc4)OCCO5
InChi:InChI=1S/C21H25N5O3/c1-25-11-14(13-3-4-17-18(10-13)29-8-7-28-17)9-15(12-25)23-21-24-16-5-6-22-19(16)20(27)26(21)2/h3-6,10,14-15,22H,7-9,11-12H2,1-2H3,(H,23,24)/t14-,15+/m0/s1
定義日:2019-01-22
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
BJL
BJL
表記:N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine
組成式:C15 H19 N O7
SMILES:C(c1ccc(cc1)O)C(C(O)=O)NC(CC(O)C(OCC)=O)=O
InChi:InChI=1S/C15H19NO7/c1-2-23-15(22)12(18)8-13(19)16-11(14(20)21)7-9-3-5-10(17)6-4-9/h3-6,11-12,17-18H,2,7-8H2,1H3,(H,16,19)(H,20,21)/t11-,12+/m0/s1
定義日:2019-02-07
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine
B6L
B6L
表記:2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide
組成式:C25 H20 F7 N O4 S
SMILES:c1cc(S(CC)(=O)=O)ccc1CC(Nc2ccc(cc2)c3c(F)cc(cc3)C(C(F)(F)F)(C(F)(F)F)O)=O
InChi:InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)
定義日:2019-01-17
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide
BQ9
BQ9
表記:(2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate
組成式:C29 H50 O5
SMILES:C(=O)(CCCC=CCC=[C@H]C[C@H]=CCC)OC(CO)COC(CCCCCCCCCCC)=O
InChi:InChI=1S/C29H50O5/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-17-15-12-10-8-6-4-2/h5,7,11,13,16,18,27,30H,3-4,6,8-10,12,14-15,17,19-26H2,1-2H3/b7-5+,13-11+,18-16+/t27-/m1/s1
定義日:2019-02-28
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:(2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate
H7W
H7W
表記:(1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
組成式:C21 H29 N3 O2
SMILES:C[CH]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc4C(N)=O
InChi:InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1
定義日:2018-11-20
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:(1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
H7Z
H7Z
表記:(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
組成式:C21 H29 N3 O2
SMILES:C[CH]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc4C(N)=O
InChi:InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m1/s1
定義日:2018-11-21
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
BYO
BYO
表記:(3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione
組成式:C22 H25 N O2
SMILES:C[CH]1CCC[CH]2C=C[CH](C)[C]3([CH]12)C(=O)NC=C(C3=O)c4ccccc4
InChi:InChI=1S/C22H25NO2/c1-14-7-6-10-17-12-11-15(2)22(19(14)17)20(24)18(13-23-21(22)25)16-8-4-3-5-9-16/h3-5,8-9,11-15,17,19H,6-7,10H2,1-2H3,(H,23,25)/t14-,15-,17+,19+,22+/m1/s1
定義日:2019-03-29
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:(3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione
HKJ
HKJ
表記:N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
組成式:C21 H21 F N6 O3 S
SMILES:c2(NC(c1ccc(cn1)F)C)ccc3c(n2)n(cc3S(C4COC4)(=O)=O)c5cc(C)nn5
InChi:InChI=1S/C21H21FN6O3S/c1-12-7-20(27-26-12)28-9-18(32(29,30)15-10-31-11-15)16-4-6-19(25-21(16)28)24-13(2)17-5-3-14(22)8-23-17/h3-9,13,15H,10-11H2,1-2H3,(H,24,25)(H,26,27)/t13-/m0/s1
定義日:2018-07-09
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
J6H
J6H
表記:(3~{S})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{H}-pyridin-4-yl)propanoic acid
組成式:C14 H12 Cl N O3
SMILES:OC(=O)C[CH](c1ccc(Cl)cc1)C2=CC(=O)NC=C2
InChi:InChI=1S/C14H12ClNO3/c15-11-3-1-9(2-4-11)12(8-14(18)19)10-5-6-16-13(17)7-10/h1-7,12H,8H2,(H,16,17)(H,18,19)/t12-/m0/s1
定義日:2019-02-07
最終更新日:2019-04-19
公開日:2019-04-24
識別子（ID）:(3~{S})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{H}-pyridin-4-yl)propanoic acid
J6K
J6K
表記:(3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid
組成式:C26 H28 N4 O5 S
SMILES:COc1cc(cc2nnn(C)c12)[CH](CC(O)=O)c3ccc(C)c(CN(C)[S](=O)(=O)c4ccccc4)c3
InChi:InChI=1S/C26H28N4O5S/c1-17-10-11-18(12-20(17)16-29(2)36(33,34)21-8-6-5-7-9-21)22(15-25(31)32)19-13-23-26(24(14-19)35-4)30(3)28-27-23/h5-14,22H,15-16H2,1-4H3,(H,31,32)/t22-/m0/s1
定義日:2019-02-07
最終更新日:2019-04-19
公開日:2019-04-24
識別子（ID）:(3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid
J6N
J6N
表記:(3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
組成式:C16 H14 Cl N3 O2
SMILES:Cn1nnc2cc(ccc12)[CH](CC(O)=O)c3ccc(Cl)cc3
InChi:InChI=1S/C16H14ClN3O2/c1-20-15-7-4-11(8-14(15)18-19-20)13(9-16(21)22)10-2-5-12(17)6-3-10/h2-8,13H,9H2,1H3,(H,21,22)/t13-/m1/s1
定義日:2019-02-07
最終更新日:2019-04-19
公開日:2019-04-24
識別子（ID）:(3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid

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