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IHV
IHV
Name:2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]pyrazine
Formula:C19 H22 N4
SMILES:Cn1cc(nc1CCc1nc(C)c(C)nc1C)c1ccccc1
InChi:InChI=1S/C19H22N4/c1-13-14(2)21-17(15(3)20-13)10-11-19-22-18(12-23(19)4)16-8-6-5-7-9-16/h5-9,12H,10-11H2,1-4H3
Definition date:2022-01-25
Last modified:2025-07-25
Release date:2022-10-12
Identifier:2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]pyrazine
IJT
IJT
Name:2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline
Formula:C20 H18 N4 O
SMILES:Cn1cc(nc1COc1nc2ccccc2nc1C)c1ccccc1
InChi:InChI=1S/C20H18N4O/c1-14-20(23-17-11-7-6-10-16(17)21-14)25-13-19-22-18(12-24(19)2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
Definition date:2022-01-26
Last modified:2025-07-25
Release date:2022-10-12
Identifier:2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline
IJW
IJW
Name:6-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
Formula:C23 H25 N5 O3
SMILES:O=C(NC1CCOC1)c1nc(cnc1OCc1nc(cn1C)c1ccccc1)C1CC1
InChi:InChI=1S/C23H25N5O3/c1-28-12-19(15-5-3-2-4-6-15)26-20(28)14-31-23-21(22(29)25-17-9-10-30-13-17)27-18(11-24-23)16-7-8-16/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)/t17-/m0/s1
Definition date:2022-01-26
Last modified:2025-07-25
Release date:2022-10-12
Identifier:6-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
IK6
IK6
Name:5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide
Formula:C21 H19 N7 O2
SMILES:O=C(Nc1ccn2cc(nc2n1)c1ccccc1)c1cnn(C)c1C(=O)N1CCC1
InChi:InChI=1S/C21H19N7O2/c1-26-18(20(30)27-9-5-10-27)15(12-22-26)19(29)24-17-8-11-28-13-16(23-21(28)25-17)14-6-3-2-4-7-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,24,25,29)
Definition date:2022-01-26
Last modified:2025-07-25
Release date:2022-10-12
Identifier:5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide
ILZ
ILZ
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
Formula:C21 H24 N6 O2
SMILES:O=C(c1cnn(C)c1C(=O)NCCc1nc(cn1C)c1ccccc1)N1CCC1
InChi:InChI=1S/C21H24N6O2/c1-25-14-17(15-7-4-3-5-8-15)24-18(25)9-10-22-20(28)19-16(13-23-26(19)2)21(29)27-11-6-12-27/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,22,28)
Definition date:2022-01-26
Last modified:2025-07-25
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
IAY
IAY
Name:4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine
Formula:C21 H22 N4 O
SMILES:Cn1cc(nc1/C=C/c1nc(ccc1)N1CCOCC1)c1ccccc1
InChi:InChI=1S/C21H22N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-11,16H,12-15H2,1H3/b11-10+
Definition date:2022-01-25
Last modified:2025-07-25
Release date:2022-10-12
Identifier:4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine
A1B9Y
A1B9Y
Name:4,4'-(thiophene-2,5-diyl)dibenzoic acid
Formula:C18 H12 O4 S
SMILES:O=C(O)c1ccc(cc1)c1ccc(s1)c1ccc(cc1)C(=O)O
InChi:InChI=1S/C18H12O4S/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H,19,20)(H,21,22)
Definition date:2025-04-15
Last modified:2025-07-25
Release date:2025-07-30
Identifier:4,4'-(thiophene-2,5-diyl)dibenzoic acid
A1B9Z
A1B9Z
Name:2,2'-[thiophene-2,5-diyldi(4,1-phenylene)]diacetic acid
Formula:C20 H16 O4 S
SMILES:O=C(O)Cc1ccc(cc1)c1ccc(s1)c1ccc(CC(=O)O)cc1
InChi:InChI=1S/C20H16O4S/c21-19(22)11-13-1-5-15(6-2-13)17-9-10-18(25-17)16-7-3-14(4-8-16)12-20(23)24/h1-10H,11-12H2,(H,21,22)(H,23,24)
Definition date:2025-04-15
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2,2'-[thiophene-2,5-diyldi(4,1-phenylene)]diacetic acid
DY0
DY0
Name:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:C17 H27 N5 O16 P2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17+/m1/s1
Definition date:2019-09-18
Last modified:2025-07-25
Release date:2025-07-30
Identifier:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
A1ECQ
A1ECQ
Name:(5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(1~{H}-indazol-5-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Formula:C29 H27 N3 O7
SMILES:COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](Nc4ccc5[nH]ncc5c4)c6cc7OCOc7cc26
InChi:InChI=1S/C29H27N3O7/c1-34-23-7-14(8-24(35-2)28(23)36-3)25-17-9-21-22(39-13-38-21)10-18(17)27(19-12-37-29(33)26(19)25)31-16-4-5-20-15(6-16)11-30-32-20/h4-11,19,25-27,31H,12-13H2,1-3H3,(H,30,32)/t19-,25+,26-,27+/m0/s1
Definition date:2024-10-01
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(1~{H}-indazol-5-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
A1EN3
A1EN3
Name:(3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol
Formula:C34 H31 F4 N5 O3
SMILES:C[C]1(O)CCCN(C1)c2nc(OC[C]34CCCN3CC(C4)=C(F)F)nc5c(F)c(ncc25)c6cc(O)cc7ccc(F)c(C#C)c67
InChi:InChI=1S/C34H31F4N5O3/c1-3-22-25(35)7-6-19-12-21(44)13-23(26(19)22)28-27(36)29-24(15-39-28)31(42-10-4-8-33(2,45)17-42)41-32(40-29)46-18-34-9-5-11-43(34)16-20(14-34)30(37)38/h1,6-7,12-13,15,44-45H,4-5,8-11,14,16-18H2,2H3/t33-,34+/m1/s1
Definition date:2025-03-25
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol
A1BZF
A1BZF
Name:N-{3-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1-phenylbut-1-en-2-yl]phenyl}-N'-[(3R)-oxolan-3-yl]sulfuric diamide
Formula:C30 H37 N3 O4 S
SMILES:O=S(=O)(NC1CCOC1)Nc1cc(ccc1)C(/CC)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1
InChi:InChI=1S/C30H37N3O4S/c1-4-29(25-11-8-12-26(21-25)31-38(34,35)32-27-17-19-36-22-27)30(23-9-6-5-7-10-23)24-13-15-28(16-14-24)37-20-18-33(2)3/h5-16,21,27,31-32H,4,17-20,22H2,1-3H3/b30-29-/t27-/m1/s1
Definition date:2025-03-06
Last modified:2025-07-25
Release date:2025-07-30
Identifier:N-{3-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1-phenylbut-1-en-2-yl]phenyl}-N'-[(3R)-oxolan-3-yl]sulfuric diamide
A1CDA
A1CDA
Name:(2E)-2-(hydroxyimino)-N-{3-[(3R)-3-(2-{[(2E)-2-(hydroxyimino)acetyl]amino}ethyl)piperidin-1-yl]propyl}acetamide
Formula:C14 H25 N5 O4
SMILES:ON=CC(=O)NCCC1CCCN(CCCNC(=O)C=NO)C1
InChi:InChI=1S/C14H25N5O4/c20-13(9-17-22)15-5-2-8-19-7-1-3-12(11-19)4-6-16-14(21)10-18-23/h9-10,12,22-23H,1-8,11H2,(H,15,20)(H,16,21)/b17-9+,18-10+/t12-/m1/s1
Definition date:2025-05-19
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(2E)-2-(hydroxyimino)-N-{3-[(3R)-3-(2-{[(2E)-2-(hydroxyimino)acetyl]amino}ethyl)piperidin-1-yl]propyl}acetamide
A1CG9
A1CG9
Name:(4R)-8-bromo-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
Formula:C18 H14 Br N3 O
SMILES:Cc1ccccc1Nc1n2cccc(Br)c2nc1c1ccco1
InChi:InChI=1S/C18H14BrN3O/c1-12-6-2-3-8-14(12)20-18-16(15-9-5-11-23-15)21-17-13(19)7-4-10-22(17)18/h2-11,20H,1H3
Definition date:2025-06-19
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(4R)-8-bromo-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
A1CIU
A1CIU
Name:N-(5-methylnaphthalen-1-yl)pyridin-4-amine
Formula:C16 H14 N2
SMILES:Cc1cccc2c(cccc21)Nc1ccncc1
InChi:InChI=1S/C16H14N2/c1-12-4-2-6-15-14(12)5-3-7-16(15)18-13-8-10-17-11-9-13/h2-11H,1H3,(H,17,18)
Definition date:2025-07-16
Last modified:2025-07-25
Release date:2025-07-30
Identifier:N-(5-methylnaphthalen-1-yl)pyridin-4-amine
A1EAB
A1EAB
Name:2-[(3-cyanophenyl)methyl]-5,5-dimethyl-hexa-2,3-dienamide
Formula:C16 H18 N2 O
SMILES:CC(C)(C)[CH]=[C]=[C](Cc1cccc(c1)C#N)C(N)=O
InChi:InChI=1S/C16H18N2O/c1-16(2,3)8-7-14(15(18)19)10-12-5-4-6-13(9-12)11-17/h4-6,8-9H,10H2,1-3H3,(H2,18,19)/t7-/m0/s1
Definition date:2024-07-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-[(3-cyanophenyl)methyl]-5,5-dimethyl-hexa-2,3-dienamide
A1EAX
A1EAX
Name:(2~{S},3~{R},4~{S},5~{R},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-oxane-2,3,4-triol
Formula:C13 H23 N O8
SMILES:C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O
InChi:InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7+,8-,9+,10+,11+,12-,13+/m1/s1
Definition date:2024-08-16
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(2~{S},3~{R},4~{S},5~{R},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-oxane-2,3,4-triol
A1I0Q
A1I0Q
Name:2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide
Formula:C23 H20 Cl2 N4 O
SMILES:Cc1cccc(Cl)c1Nc2n3ccccc3nc2c4ccc(CNC(=O)CCl)cc4
InChi:InChI=1S/C23H20Cl2N4O/c1-15-5-4-6-18(25)21(15)28-23-22(27-19-7-2-3-12-29(19)23)17-10-8-16(9-11-17)14-26-20(30)13-24/h2-12,28H,13-14H2,1H3,(H,26,30)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide
A1I0R
A1I0R
Name:2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]cyclohexyl]ethanamide
Formula:C22 H24 Cl2 N4 O
SMILES:Cc1cccc(Cl)c1Nc2n3ccccc3nc2[CH]4CC[CH](CC4)NC(=O)CCl
InChi:InChI=1S/C22H24Cl2N4O/c1-14-5-4-6-17(24)20(14)27-22-21(26-18-7-2-3-12-28(18)22)15-8-10-16(11-9-15)25-19(29)13-23/h2-7,12,15-16,27H,8-11,13H2,1H3,(H,25,29)/t15-,16-
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]cyclohexyl]ethanamide
A1I0U
A1I0U
Name:2-chloranyl-~{N}-[4-[6-chloranyl-3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide
Formula:C23 H19 Cl2 F N4 O
SMILES:Cc1cccc(C)c1Nc2n3cc(Cl)ccc3nc2c4ccc(NC(=O)CCl)cc4F
InChi:InChI=1S/C23H19Cl2FN4O/c1-13-4-3-5-14(2)21(13)29-23-22(28-19-9-6-15(25)12-30(19)23)17-8-7-16(10-18(17)26)27-20(31)11-24/h3-10,12,29H,11H2,1-2H3,(H,27,31)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-[6-chloranyl-3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide
A1I0V
A1I0V
Name:2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
Formula:C22 H19 Cl N4 O
SMILES:ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2NCc4ccccc4
InChi:InChI=1S/C22H19ClN4O/c23-14-20(28)25-18-11-9-17(10-12-18)21-22(24-15-16-6-2-1-3-7-16)27-13-5-4-8-19(27)26-21/h1-13,24H,14-15H2,(H,25,28)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
A1I0Y
A1I0Y
Name:2-chloranyl-~{N}-[4-[3-[(2-methoxy-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
Formula:C23 H21 Cl N4 O2
SMILES:COc1cccc(C)c1Nc2n3ccccc3nc2c4ccc(NC(=O)CCl)cc4
InChi:InChI=1S/C23H21ClN4O2/c1-15-6-5-7-18(30-2)21(15)27-23-22(26-19-8-3-4-13-28(19)23)16-9-11-17(12-10-16)25-20(29)14-24/h3-13,27H,14H2,1-2H3,(H,25,29)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-[3-[(2-methoxy-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
A1I0Z
A1I0Z
Name:2-chloranyl-~{N}-[4-(3-phenylazanylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamide
Formula:C21 H17 Cl N4 O
SMILES:ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2Nc4ccccc4
InChi:InChI=1S/C21H17ClN4O/c22-14-19(27)23-17-11-9-15(10-12-17)20-21(24-16-6-2-1-3-7-16)26-13-5-4-8-18(26)25-20/h1-13,24H,14H2,(H,23,27)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-(3-phenylazanylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamide
A1I9O
A1I9O
Name:5-[6-[(3-chloranyl-4-phenyl-phenyl)methylamino]hexylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
Formula:C32 H31 Cl N4 O2
SMILES:OC(=O)c1ccc2c(c1)nc(NCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25
InChi:InChI=1S/C32H31ClN4O2/c33-29-18-22(10-12-25(29)23-8-4-3-5-9-23)20-34-15-6-1-2-7-16-36-31-27-14-17-35-21-28(27)26-13-11-24(32(38)39)19-30(26)37-31/h3-5,8-14,17-19,21,34H,1-2,6-7,15-16,20H2,(H,36,37)(H,38,39)
Definition date:2025-04-03
Last modified:2025-07-25
Release date:2025-07-30
Identifier:5-[6-[(3-chloranyl-4-phenyl-phenyl)methylamino]hexylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
A1I9Z
A1I9Z
Name:5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
Formula:C34 H35 Cl N4 O2
SMILES:OC(=O)c1ccc2c(c1)nc(NCCCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25
InChi:InChI=1S/C34H35ClN4O2/c35-31-20-24(12-14-27(31)25-10-6-5-7-11-25)22-36-17-8-3-1-2-4-9-18-38-33-29-16-19-37-23-30(29)28-15-13-26(34(40)41)21-32(28)39-33/h5-7,10-16,19-21,23,36H,1-4,8-9,17-18,22H2,(H,38,39)(H,40,41)
Definition date:2025-04-07
Last modified:2025-07-25
Release date:2025-07-30
Identifier:5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid

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數據於2025-12-03公開中

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