 | | AIW | | Name: | phenylmethaneselenol | | Formula: | C7 H8 Se | | SMILES: | [SeH]Cc1ccccc1 | | InChi: | InChI=1S/C7H8Se/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 | | Definition date: | 2021-11-26 | | Last modified: | 2022-08-22 | | Release date: | 2022-03-16 | | Identifier: | phenylmethaneselenol |
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 | | AJ9 | | Name: | 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one | | Formula: | C24 H27 N O3 | | SMILES: | CC1=C(C)c2ccc(OCC3CCN(CC3)Cc4ccccc4)cc2OC1=O | | InChi: | InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-14-21(8-9-22(17)23)27-16-20-10-12-25(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3 | | Synonyms: | 7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one | | Definition date: | 2021-11-29 | | Last modified: | 2022-08-22 | | Release date: | 2022-04-06 | | Identifier: | 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one |
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 | | AJT | | Name: | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[(2~{S})-pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide | | Formula: | C25 H31 N7 O3 | | SMILES: | O=C(NC1CCN(CC1)C(=O)Nc2nccnc2C(=O)NC3Cc4ccccc4C3)[CH]5CCCN5 | | InChi: | InChI=1S/C25H31N7O3/c33-23(20-6-3-9-26-20)29-18-7-12-32(13-8-18)25(35)31-22-21(27-10-11-28-22)24(34)30-19-14-16-4-1-2-5-17(16)15-19/h1-2,4-5,10-11,18-20,26H,3,6-9,12-15H2,(H,29,33)(H,30,34)(H,28,31,35)/t20-/m0/s1 | | Definition date: | 2021-11-30 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-04 | | Identifier: | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[(2~{S})-pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide |
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 | | IOO | | Name: | N7-(3,4-difluorobenzyl) guanosine 5'-monophosphate | | Formula: | C17 H19 F2 N5 O8 P | | SMILES: | NC1=Nc2n(c[n+](Cc3ccc(F)c(F)c3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O | | InChi: | InChI=1S/C17H18F2N5O8P/c18-8-2-1-7(3-9(8)19)4-23-6-24(14-11(23)15(27)22-17(20)21-14)16-13(26)12(25)10(32-16)5-31-33(28,29)30/h1-3,6,10,12-13,16,25-26H,4-5H2,(H4-,20,21,22,27,28,29,30)/p+1/t10-,12-,13-,16-/m1/s1 | | Synonyms: | [(2R,3S,4R,5R)-5-[2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-1H-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Definition date: | 2022-04-04 | | Last modified: | 2022-08-22 | | Release date: | 2022-04-13 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | IPQ | | Name: | N7-(3,4-difluorobenzyl) guanine | | Formula: | C12 H10 F2 N5 O | | SMILES: | Nc1nc(O)c2c([nH]c[n+]2Cc3ccc(F)c(F)c3)n1 | | InChi: | InChI=1S/C12H9F2N5O/c13-7-2-1-6(3-8(7)14)4-19-5-16-10-9(19)11(20)18-12(15)17-10/h1-3,5H,4H2,(H3,15,17,18,20)/p+1 | | Synonyms: | 2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-9H-purin-7-ium-6-ol | | Definition date: | 2022-04-04 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-25 | | Identifier: | 2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-9~{H}-purin-7-ium-6-ol |
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 | | ITH | | Name: | 4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione | | Formula: | C12 H20 N4 O4 | | SMILES: | C[CH]([CH](C)[NH+]1CC(=O)NC(=O)C1)[NH+]2CC(=O)NC(=O)C2 | | InChi: | InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)/p+2/t7-,8+ | | Definition date: | 2022-04-11 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-25 | | Identifier: | 4-[(2~{S},3~{R})-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione |
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 | | IU4 | | Name: | N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]ethanamide | | Formula: | C15 H17 N3 O2 S | | SMILES: | CC(=O)Nc1ccc(cc1)c2csc(n2)N3CCOCC3 | | InChi: | InChI=1S/C15H17N3O2S/c1-11(19)16-13-4-2-12(3-5-13)14-10-21-15(17-14)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3,(H,16,19) | | Definition date: | 2022-04-13 | | Last modified: | 2022-08-22 | | Release date: | 2022-06-22 | | Identifier: | ~{N}-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]ethanamide |
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 | | IV9 | | Name: | 1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane | | Formula: | O26 W8 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O1[W]23O[W]45O[W]16O[W]78O[W]9%10O[W]%11%12O[W](O2)(O4)(O%11)[O]56[W](O3)(O7)(O9)[O]8%10%12 | | InChi: | InChI=1S/11H2O.15O.8W/h11*1H2 | | Definition date: | 2022-04-13 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-13 | | Identifier: | 1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane |
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 | | IWL | | Name: | W11-O35 cluster | | Formula: | O35 W11 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[W]O[W]1O[W]23(O1)O[W]4O[W]56O[W]78O[W]9(O7)O[W]%10%11O[W]%12(O[W]%13(O5)[O]24[W](O%10)([O]9%11%12)[O]68%13)O3 | | InChi: | InChI=1S/18H2O.17O.11W/h18*1H2 | | Definition date: | 2022-04-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-13 |
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 | | IWO | | Name: | W8-O26 cluster | | Formula: | O26 W8 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]O[W]23O[W]45O[W][O]24[W]6(O[W]7O[W]18O[W][O]678)(O3)O5 | | InChi: | InChI=1S/15H2O.11O.8W/h15*1H2 | | Definition date: | 2022-04-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-13 | | Identifier: | 1,3,5,5,7,7,7,9,9,11,11,13,15,15-tetradecakis($l^{1}-oxidanyl)-2$l^{5},4$l^{4},6$l^{3},8$l^{3},10,12,14,16$l^{3},17,18,19,20-dodecaoxa-1$l^{6},3$l^{5},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{5},15$l^{6}-octatungstatridecacyclo[7.7.1.1^{1,11}.1^{5,7}.1^{5,15}.0^{1,4}.0^{2,9}.0^{2,11}.0^{2,13}.0^{3,6}.0^{3,8}.0^{4,15}.0^{13,16}]icosane |
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 | | IWZ | | Name: | W10-O37 cluster | | Formula: | O37 W10 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]O[W]23O[W]4O[W]15O[W]6O[W]78O[W]9(O6)O[W]%10(O4)(O5)O[W](O2)(O9)(O[W](O3)(O7)O8)O%10 | | InChi: | InChI=1S/18H2O.19O.10W/h18*1H2 | | Definition date: | 2022-04-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-13 | | Identifier: | 1,1,3,3,5,7,7,9,9,9,11,11,13,13,15,15,17,19-octadecakis($l^{1}-oxidanyl)-2$l^{3},4,6,8$l^{3},10$l^{3},12,14,16,18$l^{3},20,21,22,23,24,25,26,27,28,29-nonadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6},17$l^{6},19$l^{6}-decatungstatetradecacyclo[9.9.1.1^{1,3}.1^{3,7}.1^{5,17}.1^{5,19}.1^{7,15}.1^{11,19}.1^{13,17}.1^{17,19}.0^{2,9}.0^{5,18}.0^{8,15}.0^{10,13}]nonacosane |
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 | | IX3 | | Name: | W3-O10 cluster | | Formula: | O10 W3 | | SMILES: | O.O.O.O.O.O.O1[W]O[W]2O[W]1O2 | | InChi: | InChI=1S/6H2O.4O.3W/h6*1H2 | | Definition date: | 2022-04-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-13 | | Identifier: | 1,1,3,3,5,5-hexakis($l^{1}-oxidanyl)-2,4,6$l^{3},7-tetraoxa-1$l^{5},3$l^{5},5$l^{5}-tritungstatricyclo[3.1.1.0^{3,6}]heptane |
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 | | IX7 | | Name: | [(2~{R})-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{S})-10-methylhenicosanoate | | Formula: | C70 H131 O24 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCCC(C)CCCCCCCCCCC)OC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C70H131O24P/c1-5-8-11-14-17-20-21-22-23-25-28-33-39-44-55(73)87-49-53-58(76)60(78)65(83)70(91-53)93-67-63(81)61(79)62(80)66(92-69-64(82)59(77)57(75)52(46-71)90-69)68(67)94-95(84,85)88-48-51(89-56(74)45-40-35-27-19-16-13-10-7-3)47-86-54(72)43-38-34-30-29-32-37-42-50(4)41-36-31-26-24-18-15-12-9-6-2/h50-53,57-71,75-83H,5-49H2,1-4H3,(H,84,85)/t50?,51-,52-,53-,57-,58-,59+,60+,61+,62+,63-,64+,65+,66-,67-,68+,69-,70-/m1/s1 | | Definition date: | 2022-04-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-18 | | Identifier: | [(2~{R})-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] 10-methylhenicosanoate |
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 | | IZL | | Name: | [(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate | | Formula: | C74 H133 O39 P | | SMILES: | CCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CC)OC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C74H133O39P/c1-5-8-10-12-14-16-21-26-30-47(78)100-36-43-51(82)56(87)64(95)72(108-43)110-66-60(91)58(89)61(92)67(69(66)113-114(97,98)103-35-40(104-48(79)31-27-23-17-15-13-11-9-6-2)34-99-46(77)29-25-22-19-18-20-24-28-39(4)7-3)111-73-65(96)57(88)53(84)45(109-73)37-101-70-62(93)55(86)52(83)44(107-70)38-102-74-68(59(90)50(81)42(33-76)106-74)112-71-63(94)54(85)49(80)41(32-75)105-71/h39-45,49-76,80-96H,5-38H2,1-4H3,(H,97,98)/t39-,40-,41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59+,60-,61+,62+,63+,64+,65+,66-,67-,68+,69-,70+,71-,72-,73-,74+/m1/s1 | | Definition date: | 2022-04-22 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-18 | | Identifier: | [(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate |
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 | | D1O | | Name: | tri-(mi2-acetato-(O, O')-diaqua-dirhodium(II, II) | | Formula: | C6 H14 O8 Rh2 | | SMILES: | C[CH]1O[Rh]23(O)O[CH](C)O[Rh]2(O)(O1)O[CH](C)O3 | | InChi: | InChI=1S/3C2H4O2.2H2O.2Rh/c3*1-2(3)4 | | Definition date: | 2021-12-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-06-08 | | Identifier: | 3,7,10-trimethyl-1,5-bis(oxidanyl)-2,4,6,8,9,11-hexaoxa-1$l^{5},5$l^{5}-dirhodatricyclo[3.3.3.0^{1,5}]undecane |
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 | | D5A | | Name: | trans-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II) | | Formula: | C5 H11 N2 O7 Rh2 | | SMILES: | CC(=O)O[Rh](O)(O)n1ccnc1.O[Rh](O)O | | InChi: | InChI=1S/C3H3N2.C2H4O2.5H2O.2Rh/c1-2-5-3-4-1 | | Definition date: | 2021-12-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-06-08 | | Identifier: | 1-[5-methyl-2,2,3,3,3-pentakis(oxidanyl)-1,4$l^{3}-dioxa-2$l^{5},3$l^{5}-dirhodacyclopent-4-en-2-yl]imidazole |
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 | | D5P | | Name: | 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine | | Formula: | C21 H24 N8 S | | SMILES: | NCCSc1nc(NCc2ccc(cc2)n3cccn3)c4[nH]nc(C5CCC5)c4n1 | | InChi: | InChI=1S/C21H24N8S/c22-9-12-30-21-25-18-17(15-3-1-4-15)27-28-19(18)20(26-21)23-13-14-5-7-16(8-6-14)29-11-2-10-24-29/h2,5-8,10-11,15H,1,3-4,9,12-13,22H2,(H,27,28)(H,23,25,26) | | Synonyms: | 5-(2-azanylethylsulfanyl)-3-cyclobutyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-amine | | Definition date: | 2021-12-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-06 | | Identifier: | 5-(2-azanylethylsulfanyl)-3-cyclobutyl-~{N}-[(4-pyrazol-1-ylphenyl)methyl]-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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 | | D6B | | Name: | methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate | | Formula: | C14 H17 N3 O4 S2 | | SMILES: | COC(=O)CCN(c1scc(C)n1)c2ccc(cc2)[S](N)(=O)=O | | InChi: | InChI=1S/C14H17N3O4S2/c1-10-9-22-14(16-10)17(8-7-13(18)21-2)11-3-5-12(6-4-11)23(15,19)20/h3-6,9H,7-8H2,1-2H3,(H2,15,19,20) | | Definition date: | 2021-12-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-04 | | Identifier: | methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate |
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 | | D85 | | Name: | 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid | | Formula: | C18 H15 Cl2 N3 O4 S2 | | SMILES: | N[S](=O)(=O)c1ccc(cc1)N(CCC(O)=O)c2sc(Cl)c(n2)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C18H15Cl2N3O4S2/c19-12-3-1-11(2-4-12)16-17(20)28-18(22-16)23(10-9-15(24)25)13-5-7-14(8-6-13)29(21,26)27/h1-8H,9-10H2,(H,24,25)(H2,21,26,27) | | Definition date: | 2021-12-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-04 | | Identifier: | 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid |
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 | | D9I | | Name: | 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid | | Formula: | C16 H19 N3 O6 S2 | | SMILES: | CCOC(=O)c1sc(nc1C)N(CCC(O)=O)c2ccc(cc2)[S](N)(=O)=O | | InChi: | InChI=1S/C16H19N3O6S2/c1-3-25-15(22)14-10(2)18-16(26-14)19(9-8-13(20)21)11-4-6-12(7-5-11)27(17,23)24/h4-7H,3,8-9H2,1-2H3,(H,20,21)(H2,17,23,24) | | Definition date: | 2021-12-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-04 | | Identifier: | 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid |
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 | | J70 | | Name: | Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | | Formula: | C24 H24 N6 O4 Pt | | SMILES: | [Pt].NCCNCCN.O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35 | | InChi: | InChI=1S/C20H11N3O4.C4H13N3.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10 | | Definition date: | 2021-04-19 | | Last modified: | 2022-08-22 | | Release date: | 2021-12-15 |
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 | | H5I | | Name: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one | | Formula: | C17 H18 F3 N7 O3 | | SMILES: | C[CH]1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4C(F)(F)F | | InChi: | InChI=1S/C17H18F3N7O3/c1-9-8-30-16(28)27(9)12-6-11(23-15(24-12)26-2-4-29-5-3-26)10-7-22-14(21)25-13(10)17(18,19)20/h6-7,9H,2-5,8H2,1H3,(H2,21,22,25)/t9-/m0/s1 | | Definition date: | 2022-02-07 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-18 | | Identifier: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one |
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 | | JIK | | Name: | 1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid | | Formula: | C12 H13 N3 O2 | | SMILES: | OC(=O)c1cnc2n(ncc2c1)C3CCCC3 | | InChi: | InChI=1S/C12H13N3O2/c16-12(17)9-5-8-7-14-15(11(8)13-6-9)10-3-1-2-4-10/h5-7,10H,1-4H2,(H,16,17) | | Definition date: | 2022-04-27 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-13 | | Identifier: | 1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid |
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 | | JIT | | Name: | beta-D-manno-configured cyclophellitol aziridine | | Formula: | C7 H13 N O4 | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12 | | InChi: | InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3+,4+,5+,6+,7-/m0/s1 | | Definition date: | 2022-04-28 | | Last modified: | 2022-08-22 | | Release date: | 2022-05-18 | | Identifier: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
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 | | JLL | | Name: | (2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(5Z,10Z,14Z,19Z)-15-[[[(2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid | | Formula: | C48 H60 N12 O12 S4 | | SMILES: | O[S](=O)(=O)C[CH](NC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(=O)NCC3=C4C=CC(=N4)C=C5NC(=C(CNC(=O)[CH](C[S](O)(=O)=O)NC(=O)CCCC[CH]6SC[CH]7NC(=O)N[CH]67)C8=NC(=C[CH]9N[CH]3C=C9)C=C8)C=C5 | | InChi: | InChI=1S/C48H60N12O12S4/c61-41(7-3-1-5-39-43-35(21-73-39)57-47(65)59-43)55-37(23-75(67,68)69)45(63)49-19-29-31-13-9-25(51-31)17-27-11-15-33(53-27)30(34-16-12-28(54-34)18-26-10-14-32(29)52-26)20-50-46(64)38(24-76(70,71)72)56-42(62)8-4-2-6-40-44-36(22-74-40)58-48(66)60-44/h9-18,25,31,35-40,43-44,51,54H,1-8,19-24H2,(H,49,63)(H,50,64)(H,55,61)(H,56,62)(H2,57,59,65)(H2,58,60,66)(H,67,68,69)(H,70,71,72)/b27-17-,28-18-,32-29-,34-30-/t25-,31+,35+,36+,37+,38+,39+,40+,43+,44+/m1/s1 | | Synonyms: | Iron-Porphyrin | | Definition date: | 2022-05-05 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-13 | | Identifier: | (2~{R})-2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(1~{R},4~{S},5~{Z},10~{Z},14~{Z},19~{Z})-15-[[[(2~{R})-2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid |
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