 | | IC4 | | Name: | 13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine | | Formula: | C11 H13 Cu N3 O2 S | | SMILES: | COc1cccc2C=[N+]3N=C(S[Cu-]3Oc12)N(C)C | | InChi: | InChI=1S/C11H15N3O2S.Cu/c1-14(2)11(17)13-12-7-8-5-4-6-9(16-3)10(8)15 | | Definition date: | 2022-06-25 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 |
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 | | F96 | | Name: | 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one | | Formula: | C21 H22 F N3 O2 | | SMILES: | O[CH]1CCCN[CH]1CC(=O)Cn2cnc3ccc(cc23)c4cccc(F)c4 | | InChi: | InChI=1S/C21H22FN3O2/c22-16-4-1-3-14(9-16)15-6-7-18-20(10-15)25(13-24-18)12-17(26)11-19-21(27)5-2-8-23-19/h1,3-4,6-7,9-10,13,19,21,23,27H,2,5,8,11-12H2/t19-,21+/m1/s1 | | Definition date: | 2020-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
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 | | F99 | | Name: | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one | | Formula: | C16 H20 Cl N3 O2 | | SMILES: | Cc1c(Cl)ccc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12 | | InChi: | InChI=1S/C16H20ClN3O2/c1-10-12(17)4-5-14-16(10)19-9-20(14)8-11(21)7-13-15(22)3-2-6-18-13/h4-5,9,13,15,18,22H,2-3,6-8H2,1H3/t13-,15+/m1/s1 | | Definition date: | 2020-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
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 | | F9C | | Name: | 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one | | Formula: | C15 H19 Br N4 O2 | | SMILES: | Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12 | | InChi: | InChI=1S/C15H19BrN4O2/c1-9-11(16)6-18-15-14(9)19-8-20(15)7-10(21)5-12-13(22)3-2-4-17-12/h6,8,12-13,17,22H,2-5,7H2,1H3/t12-,13+/m1/s1 | | Definition date: | 2020-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
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 | | XS9 | | Name: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate | | Formula: | C40 H64 O8 | | SMILES: | CCCCCCCCCC(=O)OC12C(C3C=C(CO)CC4(O)C(=O)C(C)=CC4C3(O)C(C)C1OC(=O)CCCCCCCCC)C2(C)C | | InChi: | InChI=1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38+,39-,40-/m1/s1 | | Definition date: | 2022-12-06 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl didecanoate |
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 | | F9O | | Name: | (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol | | Formula: | C15 H19 Cl2 N3 O | | SMILES: | O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23 | | InChi: | InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1 | | Definition date: | 2020-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (2~{R},3~{S})-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol |
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 | | GH6 | | Name: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid | | Formula: | C19 H14 Cl2 N2 O3 | | SMILES: | OC(=O)c1cccnc1Nc2c(Cl)ccc(OCc3ccccc3)c2Cl | | InChi: | InChI=1S/C19H14Cl2N2O3/c20-14-8-9-15(26-11-12-5-2-1-3-6-12)16(21)17(14)23-18-13(19(24)25)7-4-10-22-18/h1-10H,11H2,(H,22,23)(H,24,25) | | Definition date: | 2022-05-08 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid |
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 | | LBJ | | Name: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole | | Formula: | C12 H14 N2 O | | SMILES: | COc1ccc2[nH]c3CNCCc3c2c1 | | InChi: | InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3 | | Definition date: | 2022-06-29 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 6-methoxy-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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 | | LC9 | | Name: | 1H-indol-3-ylmethanamine | | Formula: | C9 H10 N2 | | SMILES: | NCc1c[nH]c2ccccc12 | | InChi: | InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2 | | Definition date: | 2022-06-29 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 1~{H}-indol-3-ylmethanamine |
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 | | NE0 | | Name: | [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C9 H16 N2 O18 P4 | | SMILES: | O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O | | InChi: | InChI=1S/C9H16N2O18P4/c12-5-1-2-11(9(14)10-5)8-7(27-30(15,16)17)6(13)4(26-8)3-25-32(21,22)29-33(23,24)28-31(18,19)20/h1-2,4,6-8,13H,3H2,(H,21,22)(H,23,24)(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2023-01-12 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | [[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | NE4 | | Name: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid | | Formula: | C20 H30 O2 | | SMILES: | C324C(C1(CCCC(C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4 | | InChi: | InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1 | | Synonyms: | ent-kaurenoic acid | | Definition date: | 2019-05-14 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid |
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 | | JOX | | Name: | 2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione | | Formula: | C6 H2 Cl2 O2 | | SMILES: | ClC1=CC(=O)C=C(Cl)C1=O | | InChi: | InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H | | Definition date: | 2022-08-25 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione |
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 | | K2I | | Name: | 2,5-bis(bromanyl)cyclohexa-2,5-diene-1,4-dione | | Formula: | C6 H2 Br2 O2 | | SMILES: | BrC1=CC(=O)C(=CC1=O)Br | | InChi: | InChI=1S/C6H2Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H | | Definition date: | 2022-09-06 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2,5-bis(bromanyl)cyclohexa-2,5-diene-1,4-dione |
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 | | K3C | | Name: | 2-phenylcyclohexa-2,5-diene-1,4-dione | | Formula: | C12 H8 O2 | | SMILES: | O=C1C=CC(=O)C(=C1)c2ccccc2 | | InChi: | InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H | | Definition date: | 2022-09-06 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2-phenylcyclohexa-2,5-diene-1,4-dione |
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 | | R7L | | Name: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide | | Formula: | C20 H20 N4 O6 S | | SMILES: | COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(cc(OC)c21)Cn1cccn1 | | InChi: | InChI=1S/C20H20N4O6S/c1-27-14-6-4-7-15(28-2)19(14)31(25,26)23-20-18-16(29-3)10-13(11-17(18)30-22-20)12-24-9-5-8-21-24/h4-11H,12H2,1-3H3,(H,22,23) | | Definition date: | 2022-06-22 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide |
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 | | IKL | | Name: | 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide | | Formula: | C20 H22 N4 O2 | | SMILES: | Cc1cc(C)n(n1)c2ccc(CC(=O)Nc3noc4CCCCc34)cc2 | | InChi: | InChI=1S/C20H22N4O2/c1-13-11-14(2)24(22-13)16-9-7-15(8-10-16)12-19(25)21-20-17-5-3-4-6-18(17)26-23-20/h7-11H,3-6,12H2,1-2H3,(H,21,23,25) | | Definition date: | 2022-03-29 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide |
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 | | IO9 | | Name: | (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid | | Formula: | C5 H6 O6 | | SMILES: | O[CH](CC(=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1 | | Definition date: | 2022-07-07 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid |
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 | | IOW | | Name: | (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid | | Formula: | C6 H8 O6 | | SMILES: | C[C](O)(CC(=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1 | | Definition date: | 2022-07-07 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid |
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 | | JGX | | Name: | Tamsulosin | | Formula: | C20 H28 N2 O5 S | | SMILES: | CCOc1ccccc1OCCN[CH](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O | | InChi: | InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 | | Definition date: | 2022-08-10 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 5-[(2~{R})-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide |
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 | | 9ZR | | Name: | [(2~{R})-2-[(~{Z})-hexadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-docos-13-enoate | | Formula: | C46 H89 N O8 P | | SMILES: | C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCC | | InChi: | InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h17,19-21,44H,6-16,18,22-43H2,1-5H3/p+1/b19-17-,21-20-/t44-/m1/s1 | | Definition date: | 2023-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (4R,7R,22Z)-7-{[(9Z)-hexadec-9-enoyl]oxy}-4-hydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphahentriacont-22-en-1-aminium |
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 | | SE1 | | Name: | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid | | Formula: | C23 H25 N O4 S2 | | SMILES: | O=C(O)c1ccccc1Sc1ccccc1S(=O)(=O)NC12CC3CC(C1)CC(C2)C3 | | InChi: | InChI=1S/C23H25NO4S2/c25-22(26)18-5-1-2-6-19(18)29-20-7-3-4-8-21(20)30(27,28)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,24H,9-14H2,(H,25,26)/t15-,16+,17-,23- | | Definition date: | 2022-06-30 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid |
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 | | SJ9 | | Name: | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid | | Formula: | C24 H18 Cl F N2 O3 | | SMILES: | O=C(O)c1cc2cc(ccc2n1Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccccc1 | | InChi: | InChI=1S/C24H18ClFN2O3/c25-19-8-6-16(10-20(19)26)14-28-21-9-7-17(11-18(21)12-22(28)24(30)31)23(29)27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)(H,30,31) | | Definition date: | 2022-07-05 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid |
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 | | TW6 | | Name: | [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | | Formula: | C27 H28 N2 O3 | | SMILES: | CNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 | | InChi: | InChI=1S/C27H28N2O3/c1-28-15-16-32-23-10-7-19(8-11-23)25-24-12-9-22(30)17-21(24)18-27(13-14-27)29(25)26(31)20-5-3-2-4-6-20/h2-12,17,25,28,30H,13-16,18H2,1H3/t25-/m1/s1 | | Definition date: | 2022-07-28 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
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 | | U0R | | Name: | 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde | | Formula: | C13 H8 Br2 Cl N O2 | | SMILES: | O=Cc1ncc(Br)cc1OCc1cc(Br)ccc1Cl | | InChi: | InChI=1S/C13H8Br2ClNO2/c14-9-1-2-11(16)8(3-9)7-19-13-4-10(15)5-17-12(13)6-18/h1-6H,7H2 | | Definition date: | 2022-08-01 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde |
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 | | USU | | Name: | (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide | | Formula: | C27 H27 F N4 O3 | | SMILES: | Fc1ccc(cc1)CNC(=O)N1CCC(=O)N2C(C)C(=O)N(CC21)Cc1cccc2ccccc21 | | InChi: | InChI=1S/C27H27FN4O3/c1-18-26(34)30(16-21-7-4-6-20-5-2-3-8-23(20)21)17-24-31(14-13-25(33)32(18)24)27(35)29-15-19-9-11-22(28)12-10-19/h2-12,18,24H,13-17H2,1H3,(H,29,35)/t18-,24+/m0/s1 | | Definition date: | 2022-08-24 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide |
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