 | | MXO | | Name: | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide | | Formula: | C18 H20 N6 O3 S | | SMILES: | O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C18H20N6O3S/c1-28(26,27)22-15-4-2-14(3-5-15)12-18(25)24-10-8-23(9-11-24)17-7-6-16(13-19)20-21-17/h2-7,22H,8-12H2,1H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide |
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 | | MXW | | Name: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide | | Formula: | C17 H20 Cl N5 O3 S | | SMILES: | O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C17H20ClN5O3S/c1-27(25,26)21-14-4-2-13(3-5-14)12-17(24)23-10-8-22(9-11-23)16-7-6-15(18)19-20-16/h2-7,21H,8-12H2,1H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide |
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 | | PJU | | Name: | [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol | | Formula: | C22 H25 Cl F2 N6 O3 | | SMILES: | Nc1nc(Cl)cc(n1)c2nn(cc2Cc3ccccc3OCCN4CCOC[CH]4CO)C(F)F | | InChi: | InChI=1S/C22H25ClF2N6O3/c23-19-10-17(27-22(26)28-19)20-15(11-31(29-20)21(24)25)9-14-3-1-2-4-18(14)34-8-6-30-5-7-33-13-16(30)12-32/h1-4,10-11,16,21,32H,5-9,12-13H2,(H2,26,27,28)/t16-/m1/s1 | | Definition date: | 2022-10-04 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol |
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 | | BZV | | Name: | tetracosanoic acid | | Formula: | C24 H48 O2 | | SMILES: | CCCCCCCCCCCCCCCCCCCCCCCC(O)=O | | InChi: | InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26) | | Synonyms: | lignoceric acid | | Definition date: | 2022-04-01 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | tetracosanoic acid |
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 | | NE3 | | Name: | 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile | | Formula: | C20 H20 F N5 O | | SMILES: | O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C20H20FN5O/c21-18-11-14(1-5-17(18)15-2-3-15)12-20(27)26-9-7-25(8-10-26)19-6-4-16(13-22)23-24-19/h1,4-6,11,15H,2-3,7-10,12H2 | | Definition date: | 2022-04-01 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile |
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 | | U59 | | Name: | (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one | | Formula: | C25 H25 F N4 O4 S | | SMILES: | FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OCC3CC3)S(C)(=O)=O)c2c1 | | InChi: | InChI=1S/C25H25FN4O4S/c1-29-13-22(21-12-18(35(2,32)33)6-8-24(21)34-15-16-3-4-16)20-11-17(5-7-19(20)25(29)31)23-14-30(10-9-26)28-27-23/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3 | | Definition date: | 2022-08-05 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one |
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 | | U7R | | Name: | (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one | | Formula: | C22 H21 F N4 O4 S | | SMILES: | FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OC)S(C)(=O)=O)c2c1 | | InChi: | InChI=1S/C22H21FN4O4S/c1-26-12-19(18-11-15(32(3,29)30)5-7-21(18)31-2)17-10-14(4-6-16(17)22(26)28)20-13-27(9-8-23)25-24-20/h4-7,10-13H,8-9H2,1-3H3 | | Definition date: | 2022-08-10 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one |
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 | | U93 | | Name: | (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid | | Formula: | C17 H30 N4 O12 P2 | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C=O)N[CH](CO[P](O)(O)=O)C(O)=O)c1O | | InChi: | InChI=1S/C17H30N4O12P2/c1-10-15(23)14(11(6-20-10)8-32-34(26,27)28)16(19-5-3-2-4-12(18)7-22)21-13(17(24)25)9-33-35(29,30)31/h6-7,12-13,16,19,21,23H,2-5,8-9,18H2,1H3,(H,24,25)(H2,26,27,28)(H2,29,30,31)/t12-,13-,16+/m0/s1 | | Definition date: | 2023-01-30 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid |
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 | | SRW | | Name: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol | | Formula: | C26 H31 F N4 O2 | | SMILES: | COc5c(C4CCN(c2nc(C1(CC1)F)nc3ccc(cc23)N(CCO)C)CC4)cccc5 | | InChi: | InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3 | | Definition date: | 2019-11-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol |
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 | | UHI | | Name: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one | | Formula: | C21 H21 N O4 S | | SMILES: | CS(=O)(=O)c1cc(C2=CN(C)C(=O)c3ccccc23)c(OCC2CC2)cc1 | | InChi: | InChI=1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3 | | Synonyms: | Trotabresib | | Definition date: | 2022-08-18 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one |
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 | | CVY | | Name: | 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide | | Formula: | C27 H18 F7 N7 O2 | | SMILES: | Cn1cc(cn1)c2n[nH]c3ccc(NC(=O)c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4C(F)(F)F)cc23 | | InChi: | InChI=1S/C27H18F7N7O2/c1-41-12-13(11-35-41)23-18-9-15(4-7-21(18)39-40-23)36-24(42)17-5-3-16(10-19(17)27(32,33)34)37-25(43)38-22-8-14(26(29,30)31)2-6-20(22)28/h2-12H,1H3,(H,36,42)(H,39,40)(H2,37,38,43) | | Definition date: | 2022-04-06 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide |
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 | | O6F | | Name: | N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide | | Formula: | C26 H33 N3 O3 S | | SMILES: | CCN(C(=O)c1nc(c2sccc2)c3n1CCc4cc(OC)c(OC(C)C)cc34)C(C)(C)C | | InChi: | InChI=1S/C26H33N3O3S/c1-8-29(26(4,5)6)25(30)24-27-22(21-10-9-13-33-21)23-18-15-20(32-16(2)3)19(31-7)14-17(18)11-12-28(23)24/h9-10,13-16H,8,11-12H2,1-7H3 | | Definition date: | 2023-01-25 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | ~{N}-~{tert}-butyl-~{N}-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide |
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 | | D5S | | Name: | 5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid | | Formula: | C15 H12 O6 | | SMILES: | OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O | | InChi: | InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21) | | Synonyms: | 5,5'-Methylenedisalicylic acid | | Definition date: | 2022-04-11 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid |
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 | | P2V | | Name: | ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | | Formula: | C26 H30 N6 S | | SMILES: | CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC5CCNCC5)nc12 | | InChi: | InChI=1S/C26H30N6S/c1-17(2)22-23-24(32-31-22)25(30-26(29-23)33-20-12-14-27-15-13-20)28-16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,27H,12-16H2,1-2H3,(H,31,32)(H,28,29,30) | | Definition date: | 2022-09-29 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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 | | P5L | | Name: | (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid | | Formula: | C37 H60 N4 O14 | | SMILES: | O=C1C=CN(C(=O)N1)C1OC(C2OC3OC(CNC4CN(CC(O)C4OC(=O)CCCCCCCCCCCCCCC)C2C(=O)O)C(O)C3O)C(O)C1O | | InChi: | InChI=1S/C37H60N4O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(44)53-31-21-19-40(20-22(31)42)26(35(49)50)32(55-36-30(48)27(45)23(52-36)18-38-21)33-28(46)29(47)34(54-33)41-17-16-24(43)39-37(41)51/h16-17,21-23,26-34,36,38,42,45-48H,2-15,18-20H2,1H3,(H,49,50)(H,39,43,51)/t21-,22-,23+,26-,27+,28-,29+,30+,31+,32-,33-,34+,36-/m0/s1 | | Synonyms: | sphaerimicin analogue | | Definition date: | 2022-05-25 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid |
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 | | E4I | | Name: | 1-methylimidazole-4-sulfonamide | | Formula: | C4 H7 N3 O2 S | | SMILES: | Cn1cnc(c1)[S](N)(=O)=O | | InChi: | InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9) | | Definition date: | 2022-01-03 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 1-methylimidazole-4-sulfonamide |
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 | | IJ8 | | Name: | (3~{S},4~{R})-oxolane-3,4-diol | | Formula: | C4 H8 O3 | | SMILES: | O[CH]1COC[CH]1O | | InChi: | InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+ | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (3~{S},4~{R})-oxolane-3,4-diol |
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 | | IK7 | | Name: | Ridinilazole | | Formula: | C24 H16 N6 | | SMILES: | [nH]1c2ccc(cc2nc1c3ccncc3)c4ccc5[nH]c(nc5c4)c6ccncc6 | | InChi: | InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30) | | Synonyms: | 2-pyridin-4-yl-5-(2-pyridin-4-yl-1H-benzimidazol-5-yl)-1H-benzimidazole | | Definition date: | 2022-03-25 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-pyridin-4-yl-5-(2-pyridin-4-yl-1~{H}-benzimidazol-5-yl)-1~{H}-benzimidazole |
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 | | WRQ | | Name: | N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide | | Formula: | C9 H15 N5 O7 S2 | | SMILES: | O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O | | InChi: | InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15) | | Definition date: | 2022-10-17 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide |
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 | | WSF | | Name: | (2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate | | Formula: | C26 H51 O8 P | | SMILES: | O=C(OC(COP(O)(=O)OCCC(C)C)COC(=O)CCCCCCCCC)CCCCCCC | | InChi: | InChI=1S/C26H51O8P/c1-5-7-9-11-12-14-15-17-25(27)31-21-24(34-26(28)18-16-13-10-8-6-2)22-33-35(29,30)32-20-19-23(3)4/h23-24H,5-22H2,1-4H3,(H,29,30)/t24-/m1/s1 | | Definition date: | 2022-10-17 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate |
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 | | GC5 | | Name: | S-[2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (Z)-hex-2-enethioate | | Formula: | C17 H31 N2 O8 P S | | SMILES: | CCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | | InChi: | InChI=1S/C17H31N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h6-7,15,22H,4-5,8-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/b7-6-/t15-/m0/s1 | | Definition date: | 2022-01-28 | | Last modified: | 2023-03-23 | | Release date: | 2023-02-01 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{Z})-hex-2-enethioate |
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 | | LVR | | Name: | 1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-(dihydroxyphosphanyl)-L-threo-pentitol | | Formula: | C22 H30 N5 O8 P | | SMILES: | O=P(O)(O)OCC(O)C(O)CCNCCNc1ccc(NCCN)c2c1C(=O)c1cnccc1C2=O | | InChi: | InChI=1S/C22H30N5O8P/c23-5-8-26-15-1-2-16(20-19(15)21(30)13-3-6-25-11-14(13)22(20)31)27-10-9-24-7-4-17(28)18(29)12-35-36(32,33)34/h1-3,6,11,17-18,24,26-29H,4-5,7-10,12,23H2,(H2,32,33,34)/t17-,18-/m0/s1 | | Definition date: | 2022-03-07 | | Last modified: | 2023-03-21 | | Release date: | 2023-03-15 | | Identifier: | 1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-phosphono-L-threo-pentitol |
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 | | Z3N | | Name: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one | | Formula: | C30 H34 F3 N5 O | | SMILES: | Cn1cnnc1C1(CC(C)C1)c1cc(ccc1)N1Cc2c(cc(cc2C(F)(F)F)CN2CCCC(C)C2)C1=O | | InChi: | InChI=1S/C30H34F3N5O/c1-19-6-5-9-37(15-19)16-21-10-24-25(26(11-21)30(31,32)33)17-38(27(24)39)23-8-4-7-22(12-23)29(13-20(2)14-29)28-35-34-18-36(28)3/h4,7-8,10-12,18-20H,5-6,9,13-17H2,1-3H3/t19-,20-,29+/m0/s1 | | Definition date: | 2023-03-06 | | Last modified: | 2023-03-17 | | Release date: | 2023-03-22 | | Identifier: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one |
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 | | YSW | | Name: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate | | Formula: | C29 H58 N O8 P | | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC | | InChi: | InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m0/s1 | | Definition date: | 2023-02-17 | | Last modified: | 2023-03-17 | | Release date: | 2023-03-22 | | Identifier: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate |
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 | | JQ9 | | Name: | 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione | | Formula: | C20 H24 N4 O4 | | SMILES: | CCN1C(=O)N(CC)c2nc(C=Cc3ccc(OC)c(OC)c3)n(C)c2C1=O | | InChi: | InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | | Synonyms: | istradefylline | | Definition date: | 2022-08-25 | | Last modified: | 2023-03-17 | | Release date: | 2023-03-22 | | Identifier: | 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione |
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