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GV4
GV4
表記:2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
組成式:C9 H12 N4 O
SMILES:Cn1nc(C)c(NC(=O)CC#N)c1C
InChi:InChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14)
定義日:2018-06-01
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
GWA
GWA
表記:~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide
組成式:C11 H14 N2 O3
SMILES:COCC(=O)Nc1cccc(NC(C)=O)c1
InChi:InChI=1S/C11H14N2O3/c1-8(14)12-9-4-3-5-10(6-9)13-11(15)7-16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)
定義日:2018-06-01
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide
HMV
HMV
表記:2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine
組成式:C16 H18 N2 O
SMILES:c1c(ccc3c1c2ccccc2n3)OCCN(C)C
InChi:InChI=1S/C16H18N2O/c1-18(2)9-10-19-12-7-8-16-14(11-12)13-5-3-4-6-15(13)17-16/h3-8,11,17H,9-10H2,1-2H3
定義日:2018-07-12
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine
9QO
9QO
表記:5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
組成式:C21 H28 N8 O2
SMILES:c1(nc(c(c(N)n1)c2cccc(c2)OCCCOc3c(CC)nc(nc3N)N)CC)N
InChi:InChI=1S/C21H28N8O2/c1-3-14-16(18(22)28-20(24)26-14)12-7-5-8-13(11-12)30-9-6-10-31-17-15(4-2)27-21(25)29-19(17)23/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H4,22,24,26,28)(H4,23,25,27,29)
定義日:2018-06-21
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
9QR
9QR
表記:5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
組成式:C21 H28 N8 O2
SMILES:n1c(c(c(nc1N)CC)OCCCOc3ccc(c2c(N)nc(nc2CC)N)cc3)N
InChi:InChI=1S/C21H28N8O2/c1-3-14-16(18(22)28-20(24)26-14)12-6-8-13(9-7-12)30-10-5-11-31-17-15(4-2)27-21(25)29-19(17)23/h6-9H,3-5,10-11H2,1-2H3,(H4,22,24,26,28)(H4,23,25,27,29)
定義日:2018-06-21
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
9S6
9S6
表記:3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
組成式:C30 H36 N2 O2
SMILES:CC(C)N1CCN(CC1)c2ccc(cc2)C(c3cccc(O)c3)=C(CCCO)c4ccccc4
InChi:InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+
定義日:2018-07-05
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
AEL
AEL
表記:2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
組成式:C27 H20 N4 O2
SMILES:C2(N(C(=O)c1c3c(ccc1)cccc23)CCc5n(c4ccc(C)cc4n5)c6ccncc6)=O
InChi:InChI=1S/C27H20N4O2/c1-17-8-9-23-22(16-17)29-24(31(23)19-10-13-28-14-11-19)12-15-30-26(32)20-6-2-4-18-5-3-7-21(25(18)20)27(30)33/h2-11,13-14,16H,12,15H2,1H3
定義日:2018-10-31
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
AEO
AEO
表記:2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
組成式:C22 H16 N4 O2 S
SMILES:c51c4c(ccc1)C(N(CCC=3N(c2ccccc2)C(=S)NN=3)C(c4ccc5)=O)=O
InChi:InChI=1S/C22H16N4O2S/c27-20-16-10-4-6-14-7-5-11-17(19(14)16)21(28)25(20)13-12-18-23-24-22(29)26(18)15-8-2-1-3-9-15/h1-11H,12-13H2,(H,24,29)
定義日:2018-10-31
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
MY7
MY7
表記:2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid
組成式:C18 H14 N4 O3
SMILES:CC1=NN(C(=O)[CH]1c2ccccc2)c3[nH]c4cc(ccc4n3)C(O)=O
InChi:InChI=1S/C18H14N4O3/c1-10-15(11-5-3-2-4-6-11)16(23)22(21-10)18-19-13-8-7-12(17(24)25)9-14(13)20-18/h2-9,15H,1H3,(H,19,20)(H,24,25)/t15-/m0/s1
定義日:2018-04-03
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid
SO5
SO5
表記:(2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
組成式:C24 H40 N7 O21 P3 S
SMILES:O=S(=O)(O)C(C)C(=O)OCCNC(CCNC(=O)C(C(C)(COP(O)(=O)OP(O)(=O)OCC3OC(n1cnc2c1ncnc2N)C(C3OP(O)(O)=O)O)C)O)=O
InChi:InChI=1S/C24H40N7O21P3S/c1-12(56(44,45)46)23(36)47-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-49-55(42,43)52-54(40,41)48-8-13-17(51-53(37,38)39)16(33)22(50-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13-,16-,17-,18+,22-/m1/s1
定義日:2018-12-03
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6,18-tetraoxa-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name)
BHW
BHW
表記:Coumermycin A1
組成式:C55 H59 N5 O20
SMILES:CO[CH]1[CH](OC(=O)c2[nH]c(C)cc2)[CH](O)[CH](Oc3ccc4C(=C(NC(=O)c5[nH]cc(C(=O)NC6=C(O)c7ccc(O[CH]8OC(C)(C)[CH](OC)[CH](OC(=O)c9[nH]c(C)cc9)[CH]8O)c(C)c7OC6=O)c5C)C(=O)Oc4c3C)O)OC1(C)C
InChi:InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1
定義日:2017-10-04
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:[(3~{R},4~{S},5~{R},6~{R})-3-methoxy-6-[3-[[5-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-methoxy-6,6-dimethyl-4-[(5-methyl-1~{H}-pyrrol-2-yl)carbonyloxy]-3-oxidanyl-oxan-2-yl]oxy-8-methyl-4-oxidanyl-2-oxidanylidene-chromen-3-yl]carbamoyl]-4-methyl-1~{H}-pyrrol-3-yl]carbonylamino]-8-methyl-4-oxidanyl-2-oxidanylidene-chromen-7-yl]oxy-2,2-dimethyl-5-oxidanyl-oxan-4-yl] 5-methyl-1~{H}-pyrrole-2-carboxylate
HJ5
HJ5
表記:[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium
組成式:C24 H32 N3 O4 P
SMILES:[NH3+][CH](CCc1ccccc1)[P](O)(=O)C[CH](CC#C)C(=O)N[CH](Cc2ccccc2)C([NH3+])=O
InChi:InChI=1S/C24H30N3O4P/c1-2-9-20(17-32(30,31)22(25)15-14-18-10-5-3-6-11-18)24(29)27-21(23(26)28)16-19-12-7-4-8-13-19/h1,3-8,10-13,20-22H,9,14-17,25H2,(H2,26,28)(H,27,29)(H,30,31)/p+2/t20-,21+,22-/m1/s1
定義日:2018-12-07
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium
HLV
HLV
表記:2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
組成式:C14 H13 N O2
SMILES:c12cc(ccc1oc3c2cccc3)OCCN
InChi:InChI=1S/C14H13NO2/c15-7-8-16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17-14/h1-6,9H,7-8,15H2
定義日:2018-07-12
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
HMJ
HMJ
表記:2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine
組成式:C16 H17 N O2
SMILES:c1c(OCCN(C)C)ccc3c1c2c(cccc2)o3
InChi:InChI=1S/C16H17NO2/c1-17(2)9-10-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11H,9-10H2,1-2H3
定義日:2018-07-12
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine
JJH
JJH
表記:cadazolid
組成式:C29 H29 F2 N3 O8
SMILES:OC[CH]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3)c4cc5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F)c2
InChi:InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1
定義日:2019-02-28
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:1-cyclopropyl-6-fluoranyl-7-[4-[[2-fluoranyl-4-[(5~{R})-5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-oxidanyl-piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
JN2
JN2
表記:3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide
組成式:C19 H20 F N O6
SMILES:OC[CH]1O[CH](NC(=O)c2cccc(c2)c3ccc(F)cc3)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C19H20FNO6/c20-13-6-4-10(5-7-13)11-2-1-3-12(8-11)18(26)21-19-17(25)16(24)15(23)14(9-22)27-19/h1-8,14-17,19,22-25H,9H2,(H,21,26)/t14-,15-,16+,17-,19-/m1/s1
定義日:2019-03-13
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide
G1D
G1D
表記:Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide
組成式:C30 H38 N4 O3
SMILES:C(=O)(C(NCC(Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)NCCc3cccnc3
InChi:InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)34-26(19-23-11-6-4-7-12-23)22-33-27(20-24-13-8-5-9-14-24)28(35)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27,33H,16,18-20,22H2,1-3H3,(H,32,35)(H,34,36)/t26-,27+/m0/s1
定義日:2018-05-02
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide
G1J
G1J
表記:tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
組成式:C29 H35 N3 O3 S
SMILES:C(Cc1ccccc1)(C(=O)NCc2cnccc2)SCC(Cc3ccccc3)NC(=O)OC(C)(C)C
InChi:InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26+/m1/s1
定義日:2018-05-02
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
G9S
G9S
表記:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
組成式:C27 H53 N2 O8 P S
SMILES:C(NC(CCNC(C(C(C)(COP(O)(=O)O)C)O)=O)=O)CSC(CCCCCCCCCCCCCCC)=O
InChi:InChI=1S/C27H53N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)39-21-20-28-23(30)18-19-29-26(33)25(32)27(2,3)22-37-38(34,35)36/h25,32H,4-22H2,1-3H3,(H,28,30)(H,29,33)(H2,34,35,36)/t25-/m1/s1
定義日:2018-05-16
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
J18
J18
表記:[(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
組成式:C30 H33 F3 N2 O3 S
SMILES:c5(c1c(c(C)ccc1)C)ccc(C2C(CO)N3CCCCN(CC23)S(c4c(C(F)(F)F)cccc4)(=O)=O)cc5
InChi:InChI=1S/C30H33F3N2O3S/c1-20-8-7-9-24(21(20)2)22-12-14-23(15-13-22)29-26-18-34(16-5-6-17-35(26)27(29)19-36)39(37,38)28-11-4-3-10-25(28)30(31,32)33/h3-4,7-15,26-27,29,36H,5-6,16-19H2,1-2H3/t26-,27+,29-/m0/s1
定義日:2018-01-04
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:[(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
J1K
J1K
表記:4-(2-hydroxyethylcarbamoyl)benzoic acid
組成式:C10 H11 N O4
SMILES:OCCNC(=O)c1ccc(cc1)C(O)=O
InChi:InChI=1S/C10H11NO4/c12-6-5-11-9(13)7-1-3-8(4-2-7)10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
定義日:2019-01-11
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:4-(2-hydroxyethylcarbamoyl)benzoic acid
J22
J22
表記:{(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol
組成式:C27 H34 N4 O3 S
SMILES:c5(S(N1CC2N(CCCC1)C(CO)C2c4ccc(c3c(c(C)ccc3)C)cc4)(=O)=O)nccn5C
InChi:InChI=1S/C27H34N4O3S/c1-19-7-6-8-23(20(19)2)21-9-11-22(12-10-21)26-24-17-30(14-4-5-15-31(24)25(26)18-32)35(33,34)27-28-13-16-29(27)3/h6-13,16,24-26,32H,4-5,14-15,17-18H2,1-3H3/t24-,25+,26-/m0/s1
定義日:2018-07-18
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:{(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol
J8V
J8V
表記:3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
組成式:C20 H13 F3 N2 O5
SMILES:C=2(Oc1ccccc1)C=C(C(F)(F)F)NC(C=2C(=O)Nc3cc(ccc3)C(O)=O)=O
InChi:InChI=1S/C20H13F3N2O5/c21-20(22,23)15-10-14(30-13-7-2-1-3-8-13)16(18(27)25-15)17(26)24-12-6-4-5-11(9-12)19(28)29/h1-10H,(H,24,26)(H,25,27)(H,28,29)
定義日:2018-08-23
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
J8Y
J8Y
表記:2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
組成式:C14 H9 F3 N6 O2
SMILES:c1ccc(cc1c2nnnn2)NC(C=3C(=O)NC(=CC=3)C(F)(F)F)=O
InChi:InChI=1S/C14H9F3N6O2/c15-14(16,17)10-5-4-9(13(25)19-10)12(24)18-8-3-1-2-7(6-8)11-20-22-23-21-11/h1-6H,(H,18,24)(H,19,25)(H,20,21,22,23)
定義日:2018-08-23
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
J91
J91
表記:2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
組成式:C20 H12 F4 N2 O5
SMILES:C(c2c(Oc1c(cccc1)F)c(ccc2)NC(=O)C3=CC=C(C(F)(F)F)NC3=O)(=O)O
InChi:InChI=1S/C20H12F4N2O5/c21-12-5-1-2-7-14(12)31-16-10(19(29)30)4-3-6-13(16)25-17(27)11-8-9-15(20(22,23)24)26-18(11)28/h1-9H,(H,25,27)(H,26,28)(H,29,30)
定義日:2018-08-23
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid

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件を2024-07-17に公開中

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