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FEI
FEI
表記:2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
組成式:C37 H46 N6 O10 S2
SMILES:CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)NCC[S](O)(=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C
InChi:InChI=1S/C37H46N6O10S2/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30/h7-8,17-18,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,43,46)(H,48,49,50)(H,51,52,53)/b30-17+,31-18-
別名:bilirubin ditaurate
定義日:2023-07-05
最終更新日:2023-12-29
公開日:2024-01-03
識別子（ID）:2-[3-[5-[(~{E})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
I7M
I7M
表記:3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide
組成式:C41 H47 N7 O5
SMILES:COc1nc(O[CH]2CCc3c2cccc3c4cccc(C(=O)Nc5ccc(CNC[CH]6CCC(=O)N6)cn5)c4C)c(C)cc1CNC[CH]7CCC(=O)N7
InChi:InChI=1S/C41H47N7O5/c1-24-18-27(21-43-23-29-12-17-38(50)46-29)41(52-3)48-40(24)53-35-14-13-33-32(8-5-9-34(33)35)30-6-4-7-31(25(30)2)39(51)47-36-15-10-26(20-44-36)19-42-22-28-11-16-37(49)45-28/h4-10,15,18,20,28-29,35,42-43H,11-14,16-17,19,21-23H2,1-3H3,(H,45,49)(H,46,50)(H,44,47,51)/t28-,29-,35-/m0/s1
定義日:2023-07-27
最終更新日:2023-12-29
公開日:2024-01-03
識別子（ID）:3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide
VMK
VMK
表記:2-[4-(3-fluorophenyl)phenyl]ethanamine
組成式:C14 H14 F N
SMILES:NCCc1ccc(cc1)c2cccc(F)c2
InChi:InChI=1S/C14H14FN/c15-14-3-1-2-13(10-14)12-6-4-11(5-7-12)8-9-16/h1-7,10H,8-9,16H2
定義日:2023-09-14
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:2-[4-(3-fluorophenyl)phenyl]ethanamine
UF5
UF5
表記:6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide
組成式:C8 H9 Cl N2 O2 S2
SMILES:Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3
InChi:InChI=1S/C8H9ClN2O2S2/c9-7-3-6-8(14-7)15(12,13)10-4-11(6)5-1-2-5/h3,5,10H,1-2,4H2
定義日:2023-09-05
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide
VMT
VMT
表記:2-(4-bromophenyl)ethanamine
組成式:C8 H10 Br N
SMILES:NCCc1ccc(Br)cc1
InChi:InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
別名:4-Bromophenethylamine
定義日:2023-09-14
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:2-(4-bromophenyl)ethanamine
SG0
SG0
表記:4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
組成式:C13 H17 N3 O2 S
SMILES:CC(C)Oc1ccc([CH](N)O)c2cc(sc12)C(N)=N
InChi:InChI=1S/C13H17N3O2S/c1-6(2)18-9-4-3-7(13(16)17)8-5-10(12(14)15)19-11(8)9/h3-6,13,17H,16H2,1-2H3,(H3,14,15)/t13-/m1/s1
定義日:2022-12-15
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
V9U
V9U
表記:3-azanyl-6-chloranyl-isoindol-1-one
組成式:C8 H5 Cl N2 O
SMILES:NC1=NC(=O)c2cc(Cl)ccc12
InChi:InChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12)
定義日:2023-09-11
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:3-azanyl-6-chloranyl-isoindol-1-one
Y4O
Y4O
表記:3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
組成式:C29 H31 N7 O2
SMILES:CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)c(C)c2
InChi:InChI=1S/C29H31N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-5,7-9,11-15,17-19H,6,10,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)
定義日:2023-11-20
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SVO
SVO
表記:4-(dimethylamino)-~{N}-nitro-benzenesulfonamide
組成式:C8 H11 N3 O4 S
SMILES:CN(C)c1ccc(cc1)[S](=O)(=O)N[N+]([O-])=O
InChi:InChI=1S/C8H11N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6,9H,1-2H3
定義日:2022-12-19
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:4-(dimethylamino)-~{N}-nitro-benzenesulfonamide
X0F
X0F
表記:2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate)
組成式:C10 H16 N5 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)NC(=O)N=C32)C(O)C1O
InChi:InChI=1S/C10H16N5O14P3/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
定義日:2023-05-25
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate)
X0O
X0O
表記:[[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
組成式:C10 H18 N3 O14 P3
SMILES:CN1C=C([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C(=NC1=O)N
InChi:InChI=1S/C10H18N3O14P3/c1-13-2-4(9(11)12-10(13)16)8-7(15)6(14)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-8,14-15H,3H2,1H3,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1
定義日:2023-05-25
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
SIT
SIT
表記:De-acetylated Fusicoccin
組成式:C34 H54 O11
SMILES:COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)COC(C)=O
InChi:InChI=1S/C34H54O11/c1-9-33(5,6)43-16-24-28(38)29(39)30(40)32(44-24)45-31-26-22(17(2)14-42-19(4)35)12-25(36)34(26,7)13-23-20(15-41-8)10-11-21(23)18(3)27(31)37/h9,13,17-18,20-21,24-25,27-32,36-40H,1,10-12,14-16H2,2-8H3/b23-13-/t17-,18-,20-,21+,24-,25+,27-,28-,29+,30-,31-,32-,34+/m1/s1
別名:[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate
定義日:2022-12-15
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate
SJ4
SJ4
表記:Fusicoccin J-acetonide
組成式:C30 H50 O9
SMILES:COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(C[CH](O)[C]5(C)C[CH]12)C(C)C
InChi:InChI=1S/C30H50O9/c1-14(2)18-10-21(31)30(6)11-19-16(12-35-7)8-9-17(19)15(3)23(32)27(22(18)30)38-28-25(34)24(33)26-20(37-28)13-36-29(4,5)39-26/h14-17,19-21,23-28,31-34H,8-13H2,1-7H3/t15-,16-,17+,19-,20-,21+,23-,24-,25-,26-,27-,28-,30+/m1/s1
別名:(4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
定義日:2022-12-15
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:(4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SY0
SY0
表記:(2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide
組成式:C15 H21 N5 O3
SMILES:CCNC(=O)[CH](C)NC(=O)Cn1cc(cn1)c2c(C)onc2C
InChi:InChI=1S/C15H21N5O3/c1-5-16-15(22)10(3)18-13(21)8-20-7-12(6-17-20)14-9(2)19-23-11(14)4/h6-7,10H,5,8H2,1-4H3,(H,16,22)(H,18,21)/t10-/m0/s1
定義日:2022-12-20
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:(2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide
Y7H
Y7H
表記:5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one
組成式:C18 H22 N4 O
SMILES:O=C1c2cccc3[NH]nc(CCN1C1CC4CCN(CC4)C1)c23
InChi:InChI=1S/C18H22N4O/c23-18-14-2-1-3-15-17(14)16(20-19-15)6-9-22(18)13-10-12-4-7-21(11-13)8-5-12/h1-3,12-13H,4-11H2,(H,19,20)/t13-/m0/s1
定義日:2023-01-10
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one
Y82
Y82
表記:5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one
組成式:C17 H20 N4 O
SMILES:O=C1c2cccc3[NH]nc(CCN1C1CN4CCC1CC4)c23
InChi:InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1
定義日:2023-01-11
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one
KW3
KW3
表記:(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid
組成式:C30 H36 N O11 P
SMILES:CCOC[CH](COC(=O)CCc1ccccc1OCc2cccc(Oc3ccccc3)c2)O[P](O)(=O)OC[CH](N)C(O)=O
InChi:InChI=1S/C30H36NO11P/c1-2-37-19-26(42-43(35,36)40-21-27(31)30(33)34)20-39-29(32)16-15-23-10-6-7-14-28(23)38-18-22-9-8-13-25(17-22)41-24-11-4-3-5-12-24/h3-14,17,26-27H,2,15-16,18-21,31H2,1H3,(H,33,34)(H,35,36)/t26-,27+/m1/s1
定義日:2022-10-21
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid
UCH
UCH
表記:1-pyridin-4-ylpiperidine-4-carboxylic acid
組成式:C11 H14 N2 O2
SMILES:OC(=O)C1CCN(CC1)c2ccncc2
InChi:InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
定義日:2023-05-26
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:1-pyridin-4-ylpiperidine-4-carboxylic acid
SRC
SRC
表記:[[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
組成式:C11 H20 N5 O14 P3
SMILES:CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
InChi:InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7+,10-/m1/s1
定義日:2022-12-19
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:[[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
OQK
OQK
表記:2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
組成式:C17 H11 F3 N4 O2 S
SMILES:OC(=O)c1ccccc1C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F
InChi:InChI=1S/C17H11F3N4O2S/c18-17(19,20)12-7-5-10(6-8-12)14-22-23-16(27)24(14)21-9-11-3-1-2-4-13(11)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+
定義日:2022-09-18
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
VLK
VLK
表記:(2R)-2-[[methanoyl(oxidanyl)amino]methyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide
組成式:C19 H35 N3 O4 S
SMILES:CCCCC[CH](CN(O)C=O)C(=O)N[CH](C(C)C)C(=O)N1CCCC1CS
InChi:InChI=1S/C19H35N3O4S/c1-4-5-6-8-15(11-21(26)13-23)18(24)20-17(14(2)3)19(25)22-10-7-9-16(22)12-27/h13-17,26-27H,4-12H2,1-3H3,(H,20,24)/t15-,16?,17+/m1/s1
定義日:2023-03-15
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:(2~{R})-2-[[methanoyl(oxidanyl)amino]methyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide
OQU
OQU
表記:4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
組成式:C10 H6 Br F3 N4 S
SMILES:FC(F)(F)c1nnc(S)n1N=Cc2cccc(Br)c2
InChi:InChI=1S/C10H6BrF3N4S/c11-7-3-1-2-6(4-7)5-15-18-8(10(12,13)14)16-17-9(18)19/h1-5H,(H,17,19)/b15-5+
定義日:2022-09-18
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
N59
N59
表記:4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid
組成式:C23 H21 Cl F N3 O4 S
SMILES:OC(=O)c1ccc(N2CCN(CC2)c3cccc(Cl)c3)c(N[S](=O)(=O)c4cccc(F)c4)c1
InChi:InChI=1S/C23H21ClFN3O4S/c24-17-3-1-5-19(14-17)27-9-11-28(12-10-27)22-8-7-16(23(29)30)13-21(22)26-33(31,32)20-6-2-4-18(25)15-20/h1-8,13-15,26H,9-12H2,(H,29,30)
定義日:2023-01-11
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid
ORL
ORL
表記:3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
組成式:C17 H11 F3 N4 O2 S
SMILES:OC(=O)c1cccc(C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F)c1
InChi:InChI=1S/C17H11F3N4O2S/c18-17(19,20)13-6-4-11(5-7-13)14-22-23-16(27)24(14)21-9-10-2-1-3-12(8-10)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+
定義日:2022-09-18
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
N5X
N5X
表記:3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid
組成式:C26 H26 Cl N3 O3
SMILES:Cc1ccc(C)c(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Cl)cc4)C(O)=O
InChi:InChI=1S/C26H26ClN3O3/c1-17-3-4-18(2)24(15-17)30-13-11-29(12-14-30)23-10-7-20(26(32)33)16-22(23)28-25(31)19-5-8-21(27)9-6-19/h3-10,15-16H,11-14H2,1-2H3,(H,28,31)(H,32,33)
定義日:2023-01-11
最終更新日:2023-12-22
公開日:2023-12-27
識別子（ID）:3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid

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件を2025-10-22に公開中

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