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VCS
VCS
表記:4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
組成式:C19 H20 N3 O8 P
SMILES:C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3c2ccccc2NC3=O)C(=O)O)[O-])C)OP(=O)(O)O
InChi:InChI=1S/C19H20N3O8P/c1-10-17(23)14(11(7-20-10)9-30-31(27,28)29)8-21-16(19(25)26)6-13-12-4-2-3-5-15(12)22-18(13)24/h2-5,7-8,13,21,23H,6,9H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/b21-8+/t13-/m0/s1
定義日:2020-07-29
最終更新日:2021-01-29
公開日:2021-02-03
識別子（ID）:4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
VE4
VE4
表記:4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
組成式:C19 H20 N3 O9 P
SMILES:C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2ccccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O
InChi:InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1
定義日:2020-07-31
最終更新日:2021-01-29
公開日:2021-02-03
識別子（ID）:4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
VK4
VK4
表記:(4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid
組成式:C30 H36 Cl2 N2 O5
SMILES:c1(cc(Cl)cc(c1Cl)OC2CC(N(CC2)C(C3CCCC3)=O)C)NC(=O)CC(c4ccccc4)CCC(O)=O
InChi:InChI=1S/C30H36Cl2N2O5/c1-19-15-24(13-14-34(19)30(38)21-9-5-6-10-21)39-26-18-23(31)17-25(29(26)32)33-27(35)16-22(11-12-28(36)37)20-7-3-2-4-8-20/h2-4,7-8,17-19,21-22,24H,5-6,9-16H2,1H3,(H,33,35)(H,36,37)/t19-,22-,24-/m1/s1
定義日:2020-08-19
最終更新日:2021-01-29
公開日:2021-02-03
識別子（ID）:(4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid
W8S
W8S
表記:(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone
組成式:C26 H24 N4 O4
SMILES:Cn2c(cc(c1cc(ccc1)OC)n2)Nc3cc(O)cc(c3C(=O)N4Cc5c(C4)cccc5)O
InChi:InChI=1S/C26H24N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3
定義日:2020-09-30
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone
W8V
W8V
表記:(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone
組成式:C26 H24 N4 O3
SMILES:c3(O)cc(c(C(=O)N1Cc2c(C1)cccc2)c(c3)Nc5cc(c4c(cccc4)C)nn5C)O
InChi:InChI=1S/C26H24N4O3/c1-16-7-3-6-10-20(16)21-13-24(29(2)28-21)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-8-4-5-9-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3
定義日:2020-09-30
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone
WBP
WBP
表記:3-(2-hydroxyphenyl)benzene-1,2-diol
組成式:C12 H10 O3
SMILES:Oc1cccc(c1O)c2ccccc2O
InChi:InChI=1S/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H
定義日:2019-12-25
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:3-(2-hydroxyphenyl)benzene-1,2-diol
WPM
WPM
表記:N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
組成式:C17 H19 N5 O4 S
SMILES:C3(N(C)C=CC(NC(CN(C)S(c2cc(cc1cnnc12)C)(=O)=O)=O)=C3)=O
InChi:InChI=1S/C17H19N5O4S/c1-11-6-12-9-18-20-17(12)14(7-11)27(25,26)22(3)10-15(23)19-13-4-5-21(2)16(24)8-13/h4-9H,10H2,1-3H3,(H,18,20)(H,19,23)
定義日:2020-11-04
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
XC
XC
表記:[(2~{R},3~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
組成式:C9 H16 N3 O7 P
SMILES:NC1=NC(=O)N(CC1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
InChi:InChI=1S/C9H16N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h5-6,8,13H,1-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6-,8-/m1/s1
定義日:2021-01-12
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:[(2~{R},3~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
GOC
GOC
表記:N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
組成式:C27 H23 N3 O2 S
SMILES:Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5)c(C)c1
InChi:InChI=1S/C27H23N3O2S/c1-17-8-13-24(18(2)14-17)30-26(22-15-33-16-23(22)29-30)28-27(32)21-11-9-20(10-12-21)25(31)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,28,32)
定義日:2020-09-15
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
GOF
GOF
表記:N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
組成式:C26 H21 N3 O5 S
SMILES:COc1ccc(cc1)n2nc3C[S](=O)(=O)Cc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5
InChi:InChI=1S/C26H21N3O5S/c1-34-21-13-11-20(12-14-21)29-25(22-15-35(32,33)16-23(22)28-29)27-26(31)19-9-7-18(8-10-19)24(30)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,27,31)
定義日:2020-09-15
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:~{N}-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
FE0
FE0
表記:(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
組成式:C6 H12 O4
SMILES:OC[CH]1[CH](O)C[CH](O)[CH]1O
InChi:InChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
定義日:2020-05-03
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:(1~{S},2~{S},3~{R},4~{R})-3-(hydroxymethyl)cyclopentane-1,2,4-triol
E8X
E8X
表記:(2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
組成式:C12 H23 N O4
SMILES:CCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
InChi:InChI=1S/C12H23NO4/c1-2-3-4-5-6-8-10(12(16)17)11(15)9(14)7-13-8/h8-11,13-15H,2-7H2,1H3,(H,16,17)/t8-,9+,10-,11-/m0/s1
定義日:2019-11-21
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:(2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
E9O
E9O
表記:(2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
組成式:C15 H29 N O4
SMILES:CCCCCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
InChi:InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1
定義日:2019-11-25
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:(2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
G03
G03
表記:methyl (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
組成式:C14 H23 N2 O7 P S
SMILES:COC(=O)[CH](CCSC)NCc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:InChI=1S/C14H23N2O7PS/c1-9-13(17)11(10(6-15-9)8-23-24(19,20)21)7-16-12(4-5-25-3)14(18)22-2/h6,12,16-17H,4-5,7-8H2,1-3H3,(H2,19,20,21)/t12-/m0/s1
定義日:2020-07-14
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:methyl (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
G06
G06
表記:methyl (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate
組成式:C14 H21 N2 O7 P S
SMILES:COC(=O)[CH](CCSC)N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:InChI=1S/C14H21N2O7PS/c1-9-13(17)11(10(6-15-9)8-23-24(19,20)21)7-16-12(4-5-25-3)14(18)22-2/h6-7,12,17H,4-5,8H2,1-3H3,(H2,19,20,21)/b16-7+/t12-/m0/s1
定義日:2020-07-14
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:methyl (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate
G0C
G0C
表記:[6-methyl-4-[(E)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
組成式:C12 H19 N2 O5 P S
SMILES:CSCCCN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:InChI=1S/C12H19N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6-7,15H,3-5,8H2,1-2H3,(H2,16,17,18)/b13-7+
定義日:2020-07-14
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:[6-methyl-4-[(~{E})-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
G0F
G0F
表記:[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
組成式:C12 H21 N2 O5 P S
SMILES:CSCCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:InChI=1S/C12H21N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6,13,15H,3-5,7-8H2,1-2H3,(H2,16,17,18)
定義日:2020-07-14
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
EHX
EHX
表記:(9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole
組成式:C12 H11 N O2
SMILES:OO[C]12CC=CC=C1c3ccccc3N2
InChi:InChI=1S/C12H11NO2/c14-15-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13-12/h1-7,13-14H,8H2/t12-/m1/s1
定義日:2019-12-25
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:(9~{a}~{R})-9~{a}-(dioxidanyl)-1,9-dihydrocarbazole
EN9
EN9
表記:(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide
組成式:C20 H17 Cl F4 N4 O4 S
SMILES:NC(=O)[CH](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)[S](=O)(=O)c3ccc(Cl)cc3
InChi:InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
定義日:2020-01-16
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:(2~{R})-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide
ESF
ESF
表記:(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
組成式:C19 H27 N3 O4
SMILES:CC(C)[CH](O)C(=O)N[CH](C)C(=O)N[CH]1C(=O)N(C)CCc2ccccc12
InChi:InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1
定義日:2020-01-21
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:(2~{S})-3-methyl-~{N}-[(2~{S})-1-[(3-methyl-4-oxidanylidene-2,5-dihydro-1~{H}-3-benzazepin-5-yl)amino]-1-oxidanylidene-propan-2-yl]-2-oxidanyl-butanamide
ET3
ET3
表記:2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide
組成式:C30 H42 N2 O9
SMILES:CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC
InChi:InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3
定義日:2020-01-23
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide
GWO
GWO
表記:(2R,4R,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid
組成式:C19 H23 N O3
SMILES:N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O
InChi:InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18-/m1/s1
定義日:2020-09-29
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:(2~{R},4~{R},5~{S})-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid
GY0
GY0
表記:methyl 3-[(E,3R,9R)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate
組成式:C14 H24 O5 S
SMILES:COC(=O)CCSC(=O)C[CH](O)C=CCCC[CH](C)O
InChi:InChI=1S/C14H24O5S/c1-11(15)6-4-3-5-7-12(16)10-14(18)20-9-8-13(17)19-2/h5,7,11-12,15-16H,3-4,6,8-10H2,1-2H3/b7-5+/t11-,12+/m1/s1
定義日:2020-10-08
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:methyl 3-[(~{E},3~{R},9~{R})-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate
H0C
H0C
表記:[(2~{R},3~{R},4~{R},5~{S},6~{S})-2-[[(1~{R},3~{S},5~{S},8~{R},9~{S},10~{R},11~{R},13~{R},14~{S},17~{R})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{H}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate
組成式:C44 H52 O13
SMILES:C[CH]1O[CH](O[CH]2C[CH](O)[C]3(CO)[CH]4[CH](O)C[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3(O)C2)C6=CC(=O)OC6)[CH](O)[CH](OC(=O)c7c8ccccc8cc9ccccc79)[CH]1O
InChi:InChI=1S/C44H52O13/c1-22-36(49)38(57-39(51)34-27-9-5-3-7-23(27)15-24-8-4-6-10-28(24)34)37(50)40(55-22)56-26-17-32(47)43(21-45)35-30(11-13-42(43,52)18-26)44(53)14-12-29(25-16-33(48)54-20-25)41(44,2)19-31(35)46/h3-10,15-16,22,26,29-32,35-38,40,45-47,49-50,52-53H,11-14,17-21H2,1-2H3/t22-,26-,29+,30+,31+,32+,35+,36-,37+,38+,40-,41+,42-,43+,44-/m0/s1
定義日:2020-10-19
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:[(2~{R},3~{R},4~{R},5~{S},6~{S})-2-[[(1~{R},3~{S},5~{S},8~{R},9~{S},10~{R},11~{R},13~{R},14~{S},17~{R})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{H}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate
H46
H46
表記:~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
組成式:C34 H36 F N5 O2
SMILES:CCN(CC)C(=O)[CH](N1CCN(CC1)c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F)c5ccccc5
InChi:InChI=1S/C34H36FN5O2/c1-3-38(4-2)34(42)32(25-11-6-5-7-12-25)40-21-19-39(20-22-40)31-17-16-27(23-30(31)35)37-33(41)29-15-9-8-14-28(29)26-13-10-18-36-24-26/h5-18,23-24,32H,3-4,19-22H2,1-2H3,(H,37,41)/t32-/m0/s1
定義日:2020-11-04
最終更新日:2021-01-22
公開日:2021-01-27
識別子（ID）:~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide

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件を2024-07-17に公開中

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