 | | IHF | | Name: | 5-azanyl-6-ethyl-1H-pyrimidine-2,4-dione | | Formula: | C6 H9 N3 O2 | | SMILES: | CCC1=C(N)C(=O)NC(=O)N1 | | InChi: | InChI=1S/C6H9N3O2/c1-2-3-4(7)5(10)9-6(11)8-3/h2,7H2,1H3,(H2,8,9,10,11) | | Definition date: | 2022-03-21 | | Last modified: | 2022-08-22 | | Release date: | 2022-03-30 | | Identifier: | 5-azanyl-6-ethyl-1~{H}-pyrimidine-2,4-dione |
|
 | | IHR | | Name: | ~{N}-cyclopropyl-3-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | | Formula: | C9 H11 N5 | | SMILES: | Cc1[nH]nc2c(NC3CC3)ncnc12 | | InChi: | InChI=1S/C9H11N5/c1-5-7-8(14-13-5)9(11-4-10-7)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,13,14)(H,10,11,12) | | Definition date: | 2022-03-21 | | Last modified: | 2022-08-22 | | Release date: | 2022-03-30 | | Identifier: | ~{N}-cyclopropyl-3-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
|
 | | IHW | | Name: | tungstate cluster | | Formula: | O58 W16 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]2O[W]345O[W]16(O[W]78O[W]9%10(O7)O[W]%11%12%13O[W]%14%15O[W]%16%17%18O[W](O8)(O%11)(O%12)O[W]%19(O6)(O%16)O[W]%20(O3)(O[W](O%14)(O%17)(O%18)O[W]%21%22(O[W]%23(O2)(O4)O[W](O%23)(O9)(O%10)O[W](O%15)(O%13)(O%21)O%22)O%20)O%19)O5 | | InChi: | InChI=1S/20H2O.38O.16W/h20*1H2 | | Definition date: | 2022-03-21 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-13 |
|
 | | 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 |
|
 | | 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 |
|
 | | IQL | | Name: | N-methylpyrimidine-2-carboximidamide | | Formula: | C6 H8 N4 | | SMILES: | CNC(=N)c1ncccn1 | | InChi: | InChI=1S/C6H8N4/c1-8-5(7)6-9-3-2-4-10-6/h2-4H,1H3,(H2,7,8) | | Synonyms: | N'-methylpyrimidine-2-carboximidamide | | Definition date: | 2022-04-07 | | Last modified: | 2022-08-22 | | Release date: | 2022-04-20 | | Identifier: | ~{N}-methylpyrimidine-2-carboximidamide |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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$l^{6}-decatungstatetradecacyclo[9.9.1.1^{1,3}.1^{3,7}.1^{5,17}.1^{5,19}.1^{7,15}.1^{11,19}.1^{13,17}.1^{17,19}.0^{2,9}.0^{5,18}.0^{8,15}.0^{10,13}]nonacosane |
|
 | | IX3 | | Name: | W3-O10 cluster | | Formula: | O10 W3 | | SMILES: | O.O.O.O.O.O.O1[W]O[W]2O[W]1O2 | | InChi: | InChI=1S/6H2O.4O.3W/h6*1H2 | | Definition date: | 2022-04-14 | | Last modified: | 2022-08-22 | | Release date: | 2022-07-13 | | Identifier: | 1,1,3,3,5,5-hexakis($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 |
|
 | | 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 |
|
 | | 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 |
|
 | | ZBX | | Name: | methyl (1R,2R,4S)-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate | | Formula: | C23 H22 O8 | | SMILES: | CC[C]1(O)C[CH](O)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3cc2[CH]1C(=O)OC | | InChi: | InChI=1S/C23H22O8/c1-4-23(29)9-13(24)15-11(18(23)22(28)31-3)8-12-17(20(15)26)21(27)16-10(19(12)25)6-5-7-14(16)30-2/h5-8,13,18,24,26,29H,4,9H2,1-3H3/t13-,18-,23+/m0/s1 | | Definition date: | 2012-12-17 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | methyl (1~{R},2~{R},4~{S})-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate |
|
 | | 7WE | | Name: | 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one | | Formula: | C14 H17 Cl N4 O | | SMILES: | CN1N=CC(Nc2ccc(CN(C)C)cc2)=C(Cl)C1=O | | InChi: | InChI=1S/C14H17ClN4O/c1-18(2)9-10-4-6-11(7-5-10)17-12-8-16-19(3)14(20)13(12)15/h4-8,17H,9H2,1-3H3 | | Definition date: | 2021-08-23 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one |
|
 | | 7WN | | Name: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one | | Formula: | C14 H15 Cl N4 O | | SMILES: | CN1N=CC(Nc2cc3CNCCc3cc2)=C(Cl)C1=O | | InChi: | InChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-9-4-5-16-7-10(9)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3 | | Definition date: | 2021-08-23 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one |
|
 | | 7WZ | | Name: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one | | Formula: | C12 H13 Cl N4 O | | SMILES: | CN1N=CC(Nc2ccc(CN)cc2)=C(Cl)C1=O | | InChi: | InChI=1S/C12H13ClN4O/c1-17-12(18)11(13)10(7-15-17)16-9-4-2-8(6-14)3-5-9/h2-5,7,16H,6,14H2,1H3 | | Definition date: | 2021-08-23 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one |
|
 | | 7XE | | Name: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one | | Formula: | C14 H15 Cl N4 O | | SMILES: | CN1N=CC(Nc2cc3CCNCc3cc2)=C(Cl)C1=O | | InChi: | InChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-10-7-16-5-4-9(10)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3 | | Definition date: | 2021-08-23 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one |
|
 | | 80I | | Name: | [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Formula: | C24 H33 N4 O9 P | | SMILES: | COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C(=O)CO[P](O)(O)=O | | InChi: | InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1 | | Definition date: | 2021-11-09 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butyl] dihydrogen phosphate |
|
 | | MIE | | Name: | methylglyoxal | | Formula: | C3 H4 O2 | | SMILES: | O=CC(C)=O | | InChi: | InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3 | | Definition date: | 2022-03-16 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | 2-oxopropanal |
|
 | | 7IL | | Name: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide | | Formula: | C25 H31 N5 O2 | | SMILES: | CC(C)(C)NC(=O)[CH](N(c1ccc(cc1)C(C)(C)C)C(=O)c2[nH]cnc2)c3cccnc3 | | InChi: | InChI=1S/C25H31N5O2/c1-24(2,3)18-9-11-19(12-10-18)30(23(32)20-15-27-16-28-20)21(17-8-7-13-26-14-17)22(31)29-25(4,5)6/h7-16,21H,1-6H3,(H,27,28)(H,29,31)/t21-/m1/s1 | | Synonyms: | N-[(1R)-2-(Tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide | | Definition date: | 2021-08-11 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | ~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-1~{H}-imidazole-5-carboxamide |
|
 | | 7QZ | | Name: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | | Formula: | C35 H29 F4 N7 O4 S | | SMILES: | Fc1ccccc1NC(=O)NC1=CC(=CN(C)C1=O)c1cc2c(ccn2C(C)(c2ccccn2)c2ccccn2)c(c1)NS(=O)(=O)CC(F)(F)F | | InChi: | InChI=1S/C35H29F4N7O4S/c1-34(30-11-5-7-14-40-30,31-12-6-8-15-41-31)46-16-13-24-27(44-51(49,50)21-35(37,38)39)17-22(19-29(24)46)23-18-28(32(47)45(2)20-23)43-33(48)42-26-10-4-3-9-25(26)36/h3-20,44H,21H2,1-2H3,(H2,42,43,48) | | Definition date: | 2021-08-18 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide |
|
 | | 7R5 | | Name: | N-(3-chloropyridin-4-yl)-2-[2-(morpholin-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | Formula: | C17 H17 Cl N6 O3 | | SMILES: | Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc12)N1CCOCC1 | | InChi: | InChI=1S/C17H17ClN6O3/c18-12-9-19-3-1-13(12)20-14(25)10-24-4-2-11-15(24)21-17(22-16(11)26)23-5-7-27-8-6-23/h1-4,9H,5-8,10H2,(H,19,20,25)(H,21,22,26) | | Definition date: | 2021-08-19 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | N-(3-chloropyridin-4-yl)-2-[2-(morpholin-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
|
