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WZN
WZN
Name:{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:C54 H47 Ir N7 O3
SMILES:CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1
InChi:InChI=1S/C24H27N5O3.2C15H10N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19
Definition date:2022-10-24
Last modified:2023-01-27
Release date:2023-02-01
Identifier:{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
WHX
WHX
Name:5-aminopentan-1-ol
Formula:C5 H13 N O
SMILES:NCCCCCO
InChi:InChI=1S/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2
Definition date:2022-09-09
Last modified:2023-01-27
Release date:2023-02-01
Identifier:5-aminopentan-1-ol
XEH
XEH
Name:(1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine
Formula:C13 H10 Cl F N2
SMILES:Clc1ccc(/C=N/Nc2ccc(F)cc2)cc1
InChi:InChI=1S/C13H10ClFN2/c14-11-3-1-10(2-4-11)9-16-17-13-7-5-12(15)6-8-13/h1-9,17H/b16-9+
Definition date:2022-11-14
Last modified:2023-01-27
Release date:2023-02-01
Identifier:(1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine
XEL
XEL
Name:(1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine
Formula:C13 H10 Cl F N2
SMILES:Clc1ccc(/C=N/Nc2cccc(F)c2)cc1
InChi:InChI=1S/C13H10ClFN2/c14-11-6-4-10(5-7-11)9-16-17-13-3-1-2-12(15)8-13/h1-9,17H
Definition date:2022-11-14
Last modified:2023-01-27
Release date:2023-02-01
Identifier:(1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine
XEW
XEW
Name:N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide
Formula:C11 H16 Cl N5
SMILES:Clc1ccc(NC(=N)NC(=N)NC(C)C)cc1
InChi:InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)
Definition date:2022-11-14
Last modified:2023-01-27
Release date:2023-02-01
Identifier:N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide
XF2
XF2
Name:(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide
Formula:C8 H9 Cl N4
SMILES:Clc1ccc(/C=N/NC(=N)N)cc1
InChi:InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
Definition date:2022-11-14
Last modified:2023-01-27
Release date:2023-02-01
Identifier:(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide
X0E
X0E
Name:{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium
Formula:C54 H47 Ir N7 O3
SMILES:CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1
InChi:InChI=1S/C24H27N5O3.2C15H10N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19
Definition date:2022-10-25
Last modified:2023-01-27
Release date:2023-02-01
Identifier:{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
X1C
X1C
Name:{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:C49 H38 Ir N6 O
SMILES:O=C(CCc1ccncc1)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1
InChi:InChI=1S/C19H18N4O.2C15H10N.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17
Definition date:2022-10-25
Last modified:2023-01-27
Release date:2023-02-01
Identifier:{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
X1I
X1I
Name:{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:C46 H37 F4 Ir N7 O3
SMILES:Fc1cc2c(c(F)c1)c1ccccn1[Ir+]212(c3cc(F)cc(F)c3c3ccccn31)n1ccccc1c1ccc(cn12)/C=NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccncc1
InChi:InChI=1S/C24H25N5O3.2C11H6F2N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19
Definition date:2022-10-25
Last modified:2023-01-27
Release date:2023-02-01
Identifier:{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
X1O
X1O
Name:{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:C41 H30 F4 Ir N6 O
SMILES:Fc1cc2c(c(F)c1)c1ccccn1[Ir+]212(c3cc(F)cc(F)c3c3ccccn31)n1ccccc1c1ccc(cn12)CNC(=O)CCc1ccncc1
InChi:InChI=1S/C19H18N4O.2C11H6F2N.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17
Definition date:2022-10-25
Last modified:2023-01-27
Release date:2023-02-01
Identifier:{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
TZX
TZX
Name:9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine
Formula:C26 H29 N3 O4
SMILES:COc1cc(cc(OC)c1OC)c2cncc3c2CCOc4cc(ccc34)N5CCNCC5
InChi:InChI=1S/C26H29N3O4/c1-30-24-12-17(13-25(31-2)26(24)32-3)21-15-28-16-22-19(21)6-11-33-23-14-18(4-5-20(22)23)29-9-7-27-8-10-29/h4-5,12-16,27H,6-11H2,1-3H3
Definition date:2023-01-18
Last modified:2023-01-27
Release date:2023-02-01
Identifier:9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine
XH5
XH5
Name:(5S)-5-methyl-1,3-diazinane-2,4-dione
Formula:C5 H8 N2 O2
SMILES:O=C1NC(=O)C(C)CN1
InChi:InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1
Definition date:2022-11-16
Last modified:2023-01-27
Release date:2023-02-01
Identifier:(5S)-5-methyl-1,3-diazinane-2,4-dione
X2B
X2B
Name:{N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:C56 H43 Ir N7 O2
SMILES:O=C(NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1)C(NC(=O)c1ccccc1)Cc1ccncc1
InChi:InChI=1S/C26H23N5O2.2C15H10N.Ir/c32-25(21-6-2-1-3-7-21)31-24(16-19-11-14-27-15-12-19)26(33)30-18-20-9-10-23(29-17-20)22-8-4-5-13-28-22
Definition date:2022-10-25
Last modified:2023-01-27
Release date:2023-02-01
Identifier:{N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
ZJ2
ZJ2
Name:4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile
Formula:C24 H19 N7 O
SMILES:N#Cc1ccc(cc1)Nc1ncc2NC(=O)CN(c2n1)c1c(C)cc(C=CC#N)cc1C
InChi:InChI=1S/C24H19N7O/c1-15-10-18(4-3-9-25)11-16(2)22(15)31-14-21(32)29-20-13-27-24(30-23(20)31)28-19-7-5-17(12-26)6-8-19/h3-8,10-11,13H,14H2,1-2H3,(H,29,32)(H,27,28,30)/b4-3+
Definition date:2022-12-06
Last modified:2023-01-27
Release date:2023-02-01
Identifier:4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile
X2Q
X2Q
Name:{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
Formula:C53 H38 Ir N6 O S2
SMILES:O=C(CCc1ccncc1)NCc1ccc2c3ccccn3[Ir+]34(c5c6ccccc6sc5c5ccc6ccccc6n53)(c3c5ccccc5sc3c3ccc5ccccc5n34)n2c1
InChi:InChI=1S/C19H18N4O.2C17H10NS.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17
Definition date:2022-10-26
Last modified:2023-01-27
Release date:2023-02-01
Identifier:{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
X4E
X4E
Name:{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
Formula:C53 H38 Ir N6 O S2
SMILES:O=C(CCc1cccnc1)NCc1ccc2c3ccccn3[Ir+]34(c5c6ccccc6sc5c5ccc6ccccc6n53)(c3c5ccccc5sc3c3ccc5ccccc5n34)n2c1
InChi:InChI=1S/C19H18N4O.2C17H10NS.Ir/c24-19(9-7-15-4-3-10-20-12-15)23-14-16-6-8-18(22-13-16)17-5-1-2-11-21-17
Definition date:2022-10-26
Last modified:2023-01-27
Release date:2023-02-01
Identifier:{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
JLC
JLC
Name:~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide
Formula:C17 H14 N6 O
SMILES:Cn1cc(NC(=O)c2cc(nc3ccnn23)c4ccccc4)cn1
InChi:InChI=1S/C17H14N6O/c1-22-11-13(10-19-22)20-17(24)15-9-14(12-5-3-2-4-6-12)21-16-7-8-18-23(15)16/h2-11H,1H3,(H,20,24)
Definition date:2022-05-05
Last modified:2023-01-27
Release date:2023-02-01
Identifier:~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide
JPO
JPO
Name:[(2R,3S,4R,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-(2-azanylethanoyl)sulfamate
Formula:C12 H16 Cl N7 O7 S
SMILES:NCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(Cl)nc23
InChi:InChI=1S/C12H16ClN7O7S/c13-12-17-9(15)6-10(18-12)20(3-16-6)11-8(23)7(22)4(27-11)2-26-28(24,25)19-5(21)1-14/h3-4,7-8,11,22-23H,1-2,14H2,(H,19,21)(H2,15,17,18)/t4-,7-,8-,11-/m1/s1
Definition date:2022-08-25
Last modified:2023-01-27
Release date:2023-02-01
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(2-azanylethanoyl)sulfamate
JS0
JS0
Name:[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol
Formula:C20 H25 N3 O2
SMILES:OCc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1
InChi:InChI=1S/C20H25N3O2/c1-2-9-22-11-13-23(14-12-22)10-4-15-25-19-6-3-5-17-7-8-18(16-24)21-20(17)19/h1,3,5-8,24H,4,9-16H2
Synonyms:8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde
Definition date:2022-05-09
Last modified:2023-01-27
Release date:2023-02-01
Identifier:[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol
LHX
LHX
Name:(1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
Formula:C17 H20 O6
SMILES:COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2
InChi:InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17-/m0/s1
Definition date:2022-07-05
Last modified:2023-01-27
Release date:2023-02-01
Identifier:(1~{R},2~{R})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
LJC
LJC
Name:(1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
Formula:C17 H20 O6
SMILES:COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2
InChi:InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17-/m1/s1
Definition date:2022-07-05
Last modified:2023-01-27
Release date:2023-02-01
Identifier:(1~{S},2~{S})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
LJL
LJL
Name:(1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
Formula:C17 H20 O6
SMILES:COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2
InChi:InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17+/m1/s1
Definition date:2022-07-05
Last modified:2023-01-27
Release date:2023-02-01
Identifier:(1~{R},2~{S})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
LJU
LJU
Name:(1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
Formula:C17 H20 O6
SMILES:COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2
InChi:InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17+/m0/s1
Definition date:2022-07-05
Last modified:2023-01-27
Release date:2023-02-01
Identifier:(1~{S},2~{R})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
M0F
M0F
Name:4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid
Formula:C16 H12 O4
SMILES:OC(=O)c1ccc(Cc2coc3cc(O)ccc23)cc1
InChi:InChI=1S/C16H12O4/c17-13-5-6-14-12(9-20-15(14)8-13)7-10-1-3-11(4-2-10)16(18)19/h1-6,8-9,17H,7H2,(H,18,19)
Definition date:2022-07-18
Last modified:2023-01-27
Release date:2023-02-01
Identifier:4-[(6-oxidanyl-1-benzofuran-3-yl)methyl]benzoic acid
M8X
M8X
Name:3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol
Formula:C19 H28 N2 O
SMILES:CN(CCC1CCCCCC1)Cc2c[nH]c3c(O)cccc23
InChi:InChI=1S/C19H28N2O/c1-21(12-11-15-7-4-2-3-5-8-15)14-16-13-20-19-17(16)9-6-10-18(19)22/h6,9-10,13,15,20,22H,2-5,7-8,11-12,14H2,1H3
Definition date:2022-07-26
Last modified:2023-01-27
Release date:2023-02-01
Identifier:3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol

224931

数据于2024-09-11公开中

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