 | | ZSF | | Name: | adenosine 5'-heptaphosphate | | Formula: | C10 H20 N5 O25 P7 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C10H20N5O25P7/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(34-10)1-33-42(21,22)36-44(25,26)38-46(29,30)40-47(31,32)39-45(27,28)37-43(23,24)35-41(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2023-03-28 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine |
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 | | W5F | | Name: | ALX5407 | | Formula: | C24 H24 F N O3 | | SMILES: | CN(CC[CH](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O | | InChi: | InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1 | | Synonyms: | 2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid | | Definition date: | 2023-09-20 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid |
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 | | W5O | | Name: | SSR504734 | | Formula: | C20 H20 Cl F3 N2 O | | SMILES: | FC(F)(F)c1cccc(C(=O)N[CH]([CH]2CCCCN2)c3ccccc3)c1Cl | | InChi: | InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m1/s1 | | Synonyms: | 2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide | | Definition date: | 2023-09-20 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide |
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 | | W5X | | Name: | PF-3463275 | | Formula: | C19 H22 Cl F N4 O | | SMILES: | CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4 | | InChi: | InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15- | | Synonyms: | ~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide | | Definition date: | 2023-09-20 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | ~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide |
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 | | ZUJ | | Name: | 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide | | Formula: | C17 H16 N2 O6 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O)Oc2c1 | | InChi: | InChI=1S/C17H16N2O6S/c18-26(22,23)14-6-3-12(4-7-14)19-16(20)10-24-13-5-1-11-2-8-17(21)25-15(11)9-13/h1,3-7,9H,2,8,10H2,(H,19,20)(H2,18,22,23) | | Synonyms: | coumarin benzene sulfonamide SG1-51 | | Definition date: | 2023-04-04 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide |
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 | | ZUS | | Name: | 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide | | Formula: | C18 H16 N2 O6 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)CNC(=O)COc1ccc2C=CC(=O)Oc2c1 | | InChi: | InChI=1S/C18H16N2O6S/c19-27(23,24)15-6-1-12(2-7-15)10-20-17(21)11-25-14-5-3-13-4-8-18(22)26-16(13)9-14/h1-9H,10-11H2,(H,20,21)(H2,19,23,24) | | Definition date: | 2023-04-04 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide |
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 | | ZV7 | | Name: | 2-chloro-N-(3-oxopropyl)acetohydrazide | | Formula: | C5 H9 Cl N2 O2 | | SMILES: | ClCC(=O)N(N)CCC=O | | InChi: | InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2 | | Definition date: | 2023-04-06 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-chloro-N-(3-oxopropyl)acetohydrazide |
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 | | XP6 | | Name: | Norbaeocystin | | Formula: | C10 H13 N2 O4 P | | SMILES: | NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 | | InChi: | InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15) | | Synonyms: | [3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate | | Definition date: | 2023-06-08 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate |
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 | | XPN | | Name: | Baeocystin | | Formula: | C11 H15 N2 O4 P | | SMILES: | CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 | | InChi: | InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16) | | Synonyms: | [3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate | | Definition date: | 2023-06-08 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate |
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 | | WKE | | Name: | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide | | Formula: | C11 H20 N2 O7 | | SMILES: | C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO | | InChi: | InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide |
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 | | RY3 | | Name: | (2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol | | Formula: | C12 H15 N O7 | | SMILES: | C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11+,12-/m0/s1 | | Definition date: | 2023-04-04 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (2~{S},3~{R},4~{R},5~{R},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol |
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 | | OBX | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C14 H27 N7 O7 P | | SMILES: | NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | | InChi: | InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/p+1/t8-,10-,11-,12-/m1/s1 | | Synonyms: | agmatidine | | Definition date: | 2023-01-30 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | ILR | | Name: | Spiroimine (+)-4 R | | Formula: | C13 H21 N O2 | | SMILES: | CC1=NCCC[C]12CCCCC23OCCO3 | | InChi: | InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m1/s1 | | Synonyms: | (6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene | | Definition date: | 2023-08-01 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene |
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 | | BYW | | Name: | 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide | | Formula: | C18 H17 F3 N2 O4 | | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)C(C)(C)O)C(=O)NO | | InChi: | InChI=1S/C18H17F3N2O4/c1-18(2,26)17(25)22-15(16(24)23-27)10-5-3-9(4-6-10)11-7-12(19)14(21)13(20)8-11/h3-8,15,26-27H,1-2H3,(H,22,25)(H,23,24)/t15-/m1/s1 | | Definition date: | 2023-04-24 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide |
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 | | A1AEQ | | Name: | (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal | | Formula: | C16 H17 N O S | | SMILES: | C/C(=CC=O)c1ccc(s1)c1ccc(cc1)N(C)C | | InChi: | InChI=1S/C16H17NOS/c1-12(10-11-18)15-8-9-16(19-15)13-4-6-14(7-5-13)17(2)3/h4-11H,1-3H3/b12-10+ | | Definition date: | 2024-02-13 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal |
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 | | A1H2K | | Name: | 7.10 monoacylglycerol (S-form) | | Formula: | C20 H38 O4 | | SMILES: | CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO | | InChi: | InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1 | | Synonyms: | [(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate | | Definition date: | 2024-01-19 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-heptadec-7-enoate |
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 | | MA6 | | Name: | 6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE | | Formula: | C12 H18 N5 O7 P | | SMILES: | CN(C)c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O | | InChi: | InChI=1S/C12H18N5O7P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,20,21,22)/t6-,8-,9-,12-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-03-27 | | Identifier: | N,N-dimethyladenosine 5'-(dihydrogen phosphate) |
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 | | HTU | | Name: | 4-sulfanylphenol | | Formula: | C6 H6 O S | | SMILES: | Oc1ccc(S)cc1 | | InChi: | InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H | | Definition date: | 2012-02-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 4-sulfanylphenol |
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 | | VFI | | Name: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole | | Formula: | C25 H24 N4 O2 | | SMILES: | COc1cc2c(cc1c3c(C)onc3C)ncc4nc(C)n([CH](C)c5ccccc5)c24 | | InChi: | InChI=1S/C25H24N4O2/c1-14-24(16(3)31-28-14)20-11-21-19(12-23(20)30-5)25-22(13-26-21)27-17(4)29(25)15(2)18-9-7-6-8-10-18/h6-13,15H,1-5H3/t15-/m1/s1 | | Definition date: | 2023-07-22 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole |
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 | | UKI | | Name: | N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide | | Formula: | C24 H28 N6 O3 S | | SMILES: | CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1 | | InChi: | InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29) | | Synonyms: | Sulfatinib | | Definition date: | 2023-06-08 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | ~{N}-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1~{H}-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide |
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 | | WVU | | Name: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate | | Formula: | C12 H14 N2 O3 | | SMILES: | O=C1CN(CCN1)C(=O)OCc2ccccc2 | | InChi: | InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15) | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate |
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 | | WVZ | | Name: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one | | Formula: | C15 H13 N O | | SMILES: | O=C1Cc2ccccc2[CH](N1)c3ccccc3 | | InChi: | InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)/t15-/m0/s1 | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one |
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 | | SKU | | Name: | 3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid | | Formula: | C18 H14 Cl N O7 S3 | | SMILES: | COC(=O)c1sc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C18H14ClNO7S3/c1-27-18(21)17-15(10-16(28-17)11-5-7-12(19)8-6-11)20-29(22,23)13-3-2-4-14(9-13)30(24,25)26/h2-10,20H,1H3,(H,24,25,26) | | Definition date: | 2023-04-13 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid |
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 | | WWR | | Name: | 3-(phenylmethyl)-1~{H}-imidazol-2-one | | Formula: | C10 H10 N2 O | | SMILES: | O=C1NC=CN1Cc2ccccc2 | | InChi: | InChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13) | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 3-(phenylmethyl)-1~{H}-imidazol-2-one |
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 | | XVC | | Name: | 6-azido-6-deoxy-alpha-D-glucopyranose | | Formula: | C6 H11 N3 O5 | | SMILES: | OC1C(O)C(CN=[N+]=[N-])OC(O)C1O | | InChi: | InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3-,4+,5-,6+/m1/s1 | | Definition date: | 2023-11-13 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 6-azido-6-deoxy-alpha-D-glucopyranose |
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