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A1A4E
A1A4E
Name:(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Formula:C32 H35 Cl N6 O3
SMILES:O=C(C=CCN(C)C)N1CCCC1(C)C#Cc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC
InChi:InChI=1S/C32H35ClN6O3/c1-32(14-7-19-39(32)26(40)10-6-18-38(2)3)15-11-21-20-34-16-12-22(21)28-29(27-24(36-28)13-17-35-31(27)41)37-25-9-5-8-23(33)30(25)42-4/h5-6,8-10,12,16,20,36-37H,7,13-14,17-19H2,1-4H3,(H,35,41)/b10-6+/t32-/m1/s1
Definition date:2024-08-30
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
A1AR6
A1AR6
Name:(3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[(2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-2-azaspiro[4.5]decane-3-carboxamide
Formula:C25 H40 F3 N5 O4
SMILES:O=C1NCCC1CC(CN)NC(=O)C1CC2(CCCCC2)CN1C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:InChI=1S/C25H40F3N5O4/c1-23(2,3)18(32-22(37)25(26,27)28)21(36)33-14-24(8-5-4-6-9-24)12-17(33)20(35)31-16(13-29)11-15-7-10-30-19(15)34/h15-18H,4-14,29H2,1-3H3,(H,30,34)(H,31,35)(H,32,37)/t15-,16-,17-,18+/m0/s1
Definition date:2024-05-15
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[(2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-2-azaspiro[4.5]decane-3-carboxamide (non-preferred name)
A1AR7
A1AR7
Name:N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyridin-3-yl)acetamide
Formula:C17 H17 Cl3 N2 O
SMILES:Clc1cc(cnc1)N(C(=O)C(Cl)Cl)c1ccc(cc1)C(C)(C)C
InChi:InChI=1S/C17H17Cl3N2O/c1-17(2,3)11-4-6-13(7-5-11)22(16(23)15(19)20)14-8-12(18)9-21-10-14/h4-10,15H,1-3H3
Definition date:2024-05-15
Last modified:2025-05-09
Release date:2025-05-14
Identifier:N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyridin-3-yl)acetamide
A1AR9
A1AR9
Name:N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide
Formula:C19 H13 Cl2 F N2 O
SMILES:Clc1cc(cnc1)N(C(=O)CF)c1cc(ccc1)c1cccc(Cl)c1
InChi:InChI=1S/C19H13Cl2FN2O/c20-15-5-1-3-13(7-15)14-4-2-6-17(8-14)24(19(25)10-22)18-9-16(21)11-23-12-18/h1-9,11-12H,10H2
Definition date:2024-05-15
Last modified:2025-05-09
Release date:2025-05-14
Identifier:N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide
A1ARU
A1ARU
Name:O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:C26 H42 F3 N5 O5
SMILES:FC(F)(F)C(=O)NC(C(C)OC(C)(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C=N
InChi:InChI=1S/C26H42F3N5O5/c1-15(39-25(2,3)4)20(34-24(38)26(27,28)29)23(37)33-19(12-16-8-6-5-7-9-16)22(36)32-18(14-30)13-17-10-11-31-21(17)35/h14-20,30H,5-13H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)/b30-14+/t15-,17+,18-,19+,20+/m1/s1
Definition date:2024-05-14
Last modified:2025-05-09
Release date:2025-05-14
Identifier:O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
A1ARY
A1ARY
Name:(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide
Formula:C19 H14 Cl2 N2 O2 S
SMILES:Clc1cc(cnc1)N(C(=O)C(O)S)c1cc(ccc1)c1cccc(Cl)c1
InChi:InChI=1S/C19H14Cl2N2O2S/c20-14-5-1-3-12(7-14)13-4-2-6-16(8-13)23(18(24)19(25)26)17-9-15(21)10-22-11-17/h1-11,19,25-26H/t19-/m1/s1
Definition date:2024-05-14
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide
A1BIM
A1BIM
Name:(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:C17 H19 N5 O8 S2
SMILES:OC(=O)C1=NC(SCC1=C)C(NC(=O)C(=NOC(C)(C)C(=O)O)/c1csc(N)n1)C(=O)O
InChi:InChI=1S/C17H19N5O8S2/c1-6-4-31-12(21-8(6)13(24)25)10(14(26)27)20-11(23)9(7-5-32-16(18)19-7)22-30-17(2,3)15(28)29/h5,10,12H,1,4H2,2-3H3,(H2,18,19)(H,20,23)(H,24,25)(H,26,27)(H,28,29)/b22-9-/t10-,12+/m0/s1
Synonyms:hydrolyzed ceftazidime without pyridine ring
Definition date:2024-11-29
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
A1BWW
A1BWW
Name:2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-5H-pyrrolo[3,2-d]pyrimidine
Formula:C26 H22 F3 N7 O
SMILES:Cn1cc(nc1c1ccc(Cc2c[NH]c3cnc(nc32)c2c(ncnc2OC)C2CC2)cc1)C(F)(F)F
InChi:InChI=1S/C26H22F3N7O/c1-36-12-19(26(27,28)29)34-24(36)16-5-3-14(4-6-16)9-17-10-30-18-11-31-23(35-21(17)18)20-22(15-7-8-15)32-13-33-25(20)37-2/h3-6,10-13,15,30H,7-9H2,1-2H3
Definition date:2025-02-14
Last modified:2025-05-09
Release date:2025-05-14
Identifier:2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-5H-pyrrolo[3,2-d]pyrimidine
A1CAA
A1CAA
Name:(3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile
Formula:C17 H10 F2 N2 O3 S
SMILES:CS(=O)(=O)c1ccc(C#N)cc1C1=CC(=O)c2c(cc(F)cc2F)N1
InChi:InChI=1S/C17H10F2N2O3S/c1-25(23,24)16-3-2-9(8-20)4-11(16)13-7-15(22)17-12(19)5-10(18)6-14(17)21-13/h2-7H,1H3,(H,21,22)
Definition date:2025-04-21
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile
A1D9X
A1D9X
Name:~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)-5-nitro-pyrimidin-4-amine
Formula:C13 H19 Cl N4 O4 S
SMILES:CC(C)(C)CN([CH]1CC[S](=O)(=O)C1)c2nc(Cl)ncc2[N+]([O-])=O
InChi:InChI=1S/C13H19ClN4O4S/c1-13(2,3)8-17(9-4-5-23(21,22)7-9)11-10(18(19)20)6-15-12(14)16-11/h6,9H,4-5,7-8H2,1-3H3/t9-/m1/s1
Definition date:2024-07-09
Last modified:2025-05-09
Release date:2025-05-14
Identifier:~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)-5-nitro-pyrimidin-4-amine
A1EJW
A1EJW
Name:3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one
Formula:C15 H12 Cl N3 O2
SMILES:Cc1ccc(O)cc1C2=C(N)C(=O)Nc3cc(Cl)cnc23
InChi:InChI=1S/C15H12ClN3O2/c1-7-2-3-9(20)5-10(7)12-13(17)15(21)19-11-4-8(16)6-18-14(11)12/h2-6,20H,17H2,1H3,(H,19,21)
Definition date:2025-01-17
Last modified:2025-05-09
Release date:2025-05-14
Identifier:3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1~{H}-1,5-naphthyridin-2-one
A1EJX
A1EJX
Name:4-[7-azanyl-8-(7-fluoranyl-1H-indazol-4-yl)-6-oxidanylidene-5H-1,5-naphthyridin-3-yl]-N,N-dimethyl-benzamide
Formula:C24 H19 F N6 O2
SMILES:CN(C)C(=O)c1ccc(cc1)c2cnc3c(NC(=O)C(=C3c4ccc(F)c5[nH]ncc45)N)c2
InChi:InChI=1S/C24H19FN6O2/c1-31(2)24(33)13-5-3-12(4-6-13)14-9-18-22(27-10-14)19(20(26)23(32)29-18)15-7-8-17(25)21-16(15)11-28-30-21/h3-11H,26H2,1-2H3,(H,28,30)(H,29,32)
Definition date:2025-01-17
Last modified:2025-05-09
Release date:2025-05-14
Identifier:4-[7-azanyl-8-(7-fluoranyl-1~{H}-indazol-4-yl)-6-oxidanylidene-5~{H}-1,5-naphthyridin-3-yl]-~{N},~{N}-dimethyl-benzamide
A1I45
A1I45
Name:5-oxidanyl-2-(phenylmethyl)-1,9-dihydropyrimido[4,5-b]indol-4-one
Formula:C17 H13 N3 O2
SMILES:Oc1cccc2[nH]c3NC(=NC(=O)c3c12)Cc4ccccc4
InChi:InChI=1S/C17H13N3O2/c21-12-8-4-7-11-14(12)15-16(18-11)19-13(20-17(15)22)9-10-5-2-1-3-6-10/h1-8,21H,9H2,(H2,18,19,20,22)
Definition date:2025-03-03
Last modified:2025-05-09
Release date:2025-05-14
Identifier:5-oxidanyl-2-(phenylmethyl)-1,9-dihydropyrimido[4,5-b]indol-4-one
A1I76
A1I76
Name:3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
Formula:C11 H9 N3 S
SMILES:Cc1nnc2scc(n12)c3ccccc3
InChi:InChI=1S/C11H9N3S/c1-8-12-13-11-14(8)10(7-15-11)9-5-3-2-4-6-9/h2-7H,1H3
Definition date:2025-03-25
Last modified:2025-05-09
Release date:2025-05-14
Identifier:3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
A1I8D
A1I8D
Name:(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol
Formula:C11 H9 N3 O S
SMILES:OCc1nnc2scc(n12)c3ccccc3
InChi:InChI=1S/C11H9N3OS/c15-6-10-12-13-11-14(10)9(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H,6H2
Definition date:2025-03-26
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol
A1I9V
A1I9V
Name:5-METHYL-2-THIO-URIDINE-5'-MONOPHOSPHATE
Formula:C10 H15 N2 O8 P S
SMILES:CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)NC1=O
InChi:InChI=1S/C10H15N2O8PS/c1-4-2-12(10(22)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(16,17)18/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,22)(H2,16,17,18)/t5-,6-,7-,9-/m1/s1
Synonyms:[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Definition date:2025-04-04
Last modified:2025-05-09
Release date:2025-05-14
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
A1IOW
A1IOW
Name:(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
Formula:C18 H26 O2
SMILES:CC(C)[C]12CC[C](C)(O1)[CH](C2)OCc3ccccc3C
InChi:InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16?,17-,18+/m0/s1
Definition date:2024-09-17
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
A1IPE
A1IPE
Name:Oxaziclomefone
Formula:C20 H19 Cl2 N O2
SMILES:CC1=C(C(=O)N(CO1)C(C)(C)c2cc(Cl)cc(Cl)c2)c3ccccc3
InChi:InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
Synonyms:3-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one
Definition date:2024-09-20
Last modified:2025-05-09
Release date:2025-05-14
Identifier:3-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one
A1IPO
A1IPO
Name:4-methoxy-2,3-dimethyl-pyridine
Formula:C8 H11 N O
SMILES:COc1ccnc(C)c1C
InChi:InChI=1S/C8H11NO/c1-6-7(2)9-5-4-8(6)10-3/h4-5H,1-3H3
Definition date:2024-09-26
Last modified:2025-05-09
Release date:2025-05-14
Identifier:4-methoxy-2,3-dimethyl-pyridine
A1IV8
A1IV8
Name:~{N}-(3-chlorophenyl)-2-[4-(2-fluorophenyl)-3-methoxy-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-methyl-propanamide
Formula:C21 H20 Cl F N2 O3
SMILES:COC1=C(C(=O)N(C1)C(C)(C)C(=O)Nc2cccc(Cl)c2)c3ccccc3F
InChi:InChI=1S/C21H20ClFN2O3/c1-21(2,20(27)24-14-8-6-7-13(22)11-14)25-12-17(28-3)18(19(25)26)15-9-4-5-10-16(15)23/h4-11H,12H2,1-3H3,(H,24,27)
Definition date:2024-12-06
Last modified:2025-05-09
Release date:2025-05-14
Identifier:~{N}-(3-chlorophenyl)-2-[4-(2-fluorophenyl)-3-methoxy-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-methyl-propanamide
A1IWF
A1IWF
Name:(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole
Formula:C18 H16 F3 N O2
SMILES:C[C]1(COCc2c(F)cccc2F)CC(=NO1)c3ccccc3F
InChi:InChI=1S/C18H16F3NO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3/t18-/m0/s1
Definition date:2024-12-10
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole
A1L7Q
A1L7Q
Name:1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
Formula:C27 H22 F3 N5 O2
SMILES:Cc1cncc(c1)N2C(=O)N(CC=N)C(=C(Cc3cc(F)c(F)c(F)c3)C2=O)N4Cc5ccccc5C4
InChi:InChI=1S/C27H22F3N5O2/c1-16-8-20(13-32-12-16)35-26(36)21(9-17-10-22(28)24(30)23(29)11-17)25(34(7-6-31)27(35)37)33-14-18-4-2-3-5-19(18)15-33/h2-6,8,10-13,31H,7,9,14-15H2,1H3/b31-6-
Definition date:2025-02-19
Last modified:2025-05-09
Release date:2025-05-14
Identifier:1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
A1L7R
A1L7R
Name:1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione
Formula:C23 H18 Cl2 F3 N5 O2
SMILES:Fc1ccc(cc1Cl)C2=C(N3CC4(C3)CC(F)(F)C4)N(CC=N)C(=O)N(C2=O)c5cncc(Cl)c5
InChi:InChI=1S/C23H18Cl2F3N5O2/c24-14-6-15(8-30-7-14)33-20(34)18(13-1-2-17(26)16(25)5-13)19(32(4-3-29)21(33)35)31-11-22(12-31)9-23(27,28)10-22/h1-3,5-8,29H,4,9-12H2
Definition date:2025-02-19
Last modified:2025-05-09
Release date:2025-05-14
Identifier:1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione
A1L9C
A1L9C
Name:~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide
Formula:C19 H21 N3 O7 S
SMILES:CC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)C(=O)c3cc(O)c(O)c(O)c3
InChi:InChI=1S/C19H21N3O7S/c1-12(23)20-14-2-4-15(5-3-14)30(28,29)22-8-6-21(7-9-22)19(27)13-10-16(24)18(26)17(25)11-13/h2-5,10-11,24-26H,6-9H2,1H3,(H,20,23)
Definition date:2025-04-28
Last modified:2025-05-09
Release date:2025-05-14
Identifier:~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide
A1AQY
A1AQY
Name:N-{(1R,2P)-6-chloro-5-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorocyclohexa-2,3,5-trien-1-yl}-3-fluoroazetidine-1-sulfonamide
Formula:C18 H15 Cl2 F2 N5 O3 S
SMILES:O=S(=O)(Nc1ccc(F)c(Nc2ccc3N=CN(C)C(=O)c3c2Cl)c1Cl)N1CC(F)C1
InChi:InChI=1S/C18H15Cl2F2N5O3S/c1-26-8-23-11-4-5-12(15(19)14(11)18(26)28)24-17-10(22)2-3-13(16(17)20)25-31(29,30)27-6-9(21)7-27/h2-5,8-9,24-25H,6-7H2,1H3
Definition date:2024-05-08
Last modified:2025-05-09
Release date:2025-05-14
Identifier:N-{2-chloro-3-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoroazetidine-1-sulfonamide

236060

건을2025-05-14부터공개중

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