 | | A1ALB | | Name: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline | | Formula: | C12 H9 N3 O | | SMILES: | Nc1cccc(c1)c1nc2ncccc2o1 | | InChi: | InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2 | | Definition date: | 2024-04-08 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline |
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 | | A1D6Q | | Name: | 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one | | Formula: | C30 H18 O10 | | SMILES: | Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)c(c3O2)c4cc(ccc4O)C5=CC(=O)c6c(O)cc(O)cc6O5 | | InChi: | InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H | | Synonyms: | Amentoflavone | | Definition date: | 2024-03-08 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one |
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 | | A1H2A | | Name: | (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid | | Formula: | C16 H25 N4 O10 P2 S | | SMILES: | CC[C](O)(C(O)=O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N | | InChi: | InChI=1S/C16H24N4O10P2S/c1-4-16(23,15(21)22)14-20(8-11-7-18-10(3)19-13(11)17)9(2)12(33-14)5-6-29-32(27,28)30-31(24,25)26/h7,23H,4-6,8H2,1-3H3,(H5-,17,18,19,21,22,24,25,26,27,28)/p+1/t16-/m1/s1 | | Synonyms: | Ketobutyryl-thiamine diphosphate | | Definition date: | 2024-01-16 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-2-oxidanyl-butanoic acid |
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 | | Q2B | | Name: | 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole | | Formula: | C20 H16 N2 O3 | | SMILES: | [O-][N+](=O)C[CH](c1occc1)c2c([nH]c3ccccc23)c4ccccc4 | | InChi: | InChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2/t16-/m0/s1 | | Definition date: | 2023-03-13 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | 3-[(1~{S})-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1~{H}-indole |
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 | | Q2L | | Name: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole | | Formula: | C23 H20 N2 O3 | | SMILES: | COc1ccccc1[CH](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4 | | InChi: | InChI=1S/C23H20N2O3/c1-28-21-14-8-6-11-17(21)19(15-25(26)27)22-18-12-5-7-13-20(18)24-23(22)16-9-3-2-4-10-16/h2-14,19,24H,15H2,1H3/t19-/m0/s1 | | Definition date: | 2023-03-13 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | 3-[(1~{R})-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1~{H}-indole |
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 | | XSR | | Name: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium | | Formula: | C39 H47 F3 N3 O5 Si | | SMILES: | O=C(O)c1c(F)c(F)c(C(=O)NCCOCCOCCCCCC)c(F)c1C=1c2ccc(cc2[Si](C)(C)C2=CC(C=CC=12)=[N+]1/CCC1)N1CCC1 | | InChi: | InChI=1S/C39H46F3N3O5Si/c1-4-5-6-7-19-49-21-22-50-20-14-43-38(46)34-35(40)32(33(39(47)48)36(41)37(34)42)31-27-12-10-25(44-15-8-16-44)23-29(27)51(2,3)30-24-26(11-13-28(30)31)45-17-9-18-45/h10-13,23-24H,4-9,14-22H2,1-3H3,(H-,43,46,47,48)/p+1 | | Definition date: | 2023-11-09 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium |
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 | | YBC | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol | | Formula: | C17 H16 Cl2 N4 O5 S2 | | SMILES: | OC[CH]1O[CH](Sc2ccc(Cl)c(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4csc(O)n4 | | InChi: | InChI=1S/C17H16Cl2N4O5S2/c18-8-2-1-7(3-9(8)19)30-16-15(26)13(14(25)12(5-24)28-16)23-4-10(21-22-23)11-6-29-17(27)20-11/h1-4,6,12-16,24-26H,5H2,(H,20,27)/t12-,13+,14+,15-,16-/m1/s1 | | Definition date: | 2023-11-30 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol |
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 | | YWF | | Name: | gamma-aminobutenoic acid | | Formula: | C4 H7 N O2 | | SMILES: | NCC=CC(O)=O | | InChi: | InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+ | | Synonyms: | (E)-4-azanylbut-2-enoic acid | | Definition date: | 2023-06-22 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (~{E})-4-azanylbut-2-enoic acid |
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 | | WYT | | Name: | ~{N}-[3-[5-chloranyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]oxyphenyl]propanamide | | Formula: | C25 H29 Cl N6 O3 | | SMILES: | CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3OC)N4CCN(C)CC4)ncc2Cl)c1 | | InChi: | InChI=1S/C25H29ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30) | | Definition date: | 2023-05-24 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | ~{N}-[3-[5-chloranyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]oxyphenyl]propanamide |
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 | | WYX | | Name: | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one | | Formula: | C21 H24 N8 O | | SMILES: | CN1C(=O)c2ccccc2N(C)c3nc(Nc4cnn(c4)C5CCNCC5)ncc13 | | InChi: | InChI=1S/C21H24N8O/c1-27-17-6-4-3-5-16(17)20(30)28(2)18-12-23-21(26-19(18)27)25-14-11-24-29(13-14)15-7-9-22-10-8-15/h3-6,11-13,15,22H,7-10H2,1-2H3,(H,23,25,26) | | Definition date: | 2023-05-24 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one |
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 | | YG3 | | Name: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2R)-2-azanylpropanoyl]sulfamate | | Formula: | C13 H19 N7 O7 S | | SMILES: | C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6-,8-,9-,13-/m1/s1 | | Synonyms: | 5'-O-(N-(D-ALANYL)-SULFAMOYL)ADENOSINE | | Definition date: | 2023-12-02 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{R})-2-azanylpropanoyl]sulfamate |
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 | | QT1 | | Name: | ~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Formula: | C26 H20 N8 O | | SMILES: | Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C#N)nc(nc12)c5cccnc5 | | InChi: | InChI=1S/C26H20N8O/c1-16-8-9-18(26(35)30-20-7-3-5-17(11-20)13-27)12-22(16)31-24-21-15-29-34(2)25(21)33-23(32-24)19-6-4-10-28-14-19/h3-12,14-15H,1-2H3,(H,30,35)(H,31,32,33) | | Definition date: | 2022-11-14 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | ~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
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 | | SV9 | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Formula: | C48 H51 N9 O16 P2 | | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C(=O)CCc7ccc(cc7)c8cccc(c8)c9ccccc9)c2cc1C)C(=O)NC(=O)N6 | | InChi: | InChI=1S/C48H51N9O16P2/c1-25-17-32-33(18-26(25)2)57(37(60)16-13-27-11-14-29(15-12-27)31-10-6-9-30(19-31)28-7-4-3-5-8-28)39-45(53-48(65)54-46(39)64)55(32)20-34(58)40(61)35(59)21-70-74(66,67)73-75(68,69)71-22-36-41(62)42(63)47(72-36)56-24-52-38-43(49)50-23-51-44(38)56/h3-12,14-15,17-19,23-24,34-36,40-42,47,58-59,61-63H,13,16,20-22H2,1-2H3,(H,66,67)(H,68,69)(H2,49,50,51)(H2,53,54,64,65)/t34-,35+,36+,40-,41+,42+,47+/m0/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate |
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 | | ZW4 | | Name: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride | | Formula: | C23 H27 Cl2 F N4 O3 S | | SMILES: | O=C(N1CC(OCC1)c1ccccc1)c1c(Cl)cc(N=S(F)(=O)N2CC(CN(C)C)C2)cc1Cl | | InChi: | InChI=1S/C23H27Cl2FN4O3S/c1-28(2)12-16-13-30(14-16)34(26,32)27-18-10-19(24)22(20(25)11-18)23(31)29-8-9-33-21(15-29)17-6-4-3-5-7-17/h3-7,10-11,16,21H,8-9,12-15H2,1-2H3/t21-,34-/m1/s1 | | Definition date: | 2023-04-07 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride |
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 | | 9S2 | | Name: | (2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name) | | Formula: | C30 H38 N15 O19 P3 | | SMILES: | Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O | | InChi: | InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(60-28)2-57-67(55,56)64-20-12(61-30(21(20)62-65(50,51)52)45-9-42-15-24(33)36-6-39-27(15)45)3-58-66(53,54)63-19-10(1-46)59-29(18(19)49)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18+,19?,20-,21-,28+,29-,30?/m1/s1 | | Definition date: | 2023-07-14 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name) |
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 | | WC8 | | Name: | 2-CN-benzoyl coenzyme A | | Formula: | C29 H39 N8 O17 P3 S | | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4C#N | | InChi: | InChI=1S/C29H39N8O17P3S/c1-29(2,23(40)26(41)33-8-7-19(38)32-9-10-58-28(42)17-6-4-3-5-16(17)11-30)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(31)34-14-35-25(20)37/h3-6,14-15,18,21-23,27,39-40H,7-10,12-13H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t18-,21-,22+,23+,27-/m1/s1 | | Synonyms: | S-[2-[3-[[(2R)-4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-cyanobenzenecarbothioate | | Definition date: | 2023-05-10 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-cyanobenzenecarbothioate |
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 | | WRT | | Name: | TbXo4-OH | | Formula: | C23 H29 N5 O5 Tb | | SMILES: | OCCCN1CCN2CCN(CC1)Cc3cccc4C(=O)O[Tb+3]5(OC(=O)c6cccc(C2)[n+]56)[n+]34 | | InChi: | InChI=1S/C23H31N5O5.Tb/c29-15-3-8-26-9-11-27(16-18-4-1-6-20(24-18)22(30)31)13-14-28(12-10-26)17-19-5-2-7-21(25-19)23(32)33 | | Definition date: | 2023-05-17 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 |
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 | | E2Y | | Name: | (R)-2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyacetonitrile | | Formula: | C12 H13 N O3 | | SMILES: | CC1(C)OCc2cc(ccc2O1)[CH](O)C#N | | InChi: | InChI=1S/C12H13NO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5,10,14H,7H2,1-2H3/t10-/m0/s1 | | Synonyms: | (R)-alpha-Hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-6-acetonitrile | | Definition date: | 2023-06-09 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (2~{R})-2-(2,2-dimethyl-4~{H}-1,3-benzodioxin-6-yl)-2-oxidanyl-ethanenitrile |
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 | | FIE | | Name: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride | | Formula: | C24 H22 Cl F N4 O3 S | | SMILES: | O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2Cc3cccnc3C2)cc1Cl | | InChi: | InChI=1S/C24H22ClFN4O3S/c25-21-13-19(28-34(26,32)30-14-18-7-4-10-27-22(18)15-30)8-9-20(21)24(31)29-11-12-33-23(16-29)17-5-2-1-3-6-17/h1-10,13,23H,11-12,14-16H2/t23-,34-/m1/s1 | | Definition date: | 2023-04-07 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride |
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 | | FQ3 | | Name: | 2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde | | Formula: | C11 H12 O3 | | SMILES: | CC1(C)OCc2cc(C=O)ccc2O1 | | InChi: | InChI=1S/C11H12O3/c1-11(2)13-7-9-5-8(6-12)3-4-10(9)14-11/h3-6H,7H2,1-2H3 | | Synonyms: | 2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde | | Definition date: | 2020-06-12 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | 2,2-dimethyl-4~{H}-1,3-benzodioxine-6-carbaldehyde |
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 | | FQ9 | | Name: | (2S)-2-methyl-4H-1,3-benzodioxine-6-carbaldehyde | | Formula: | C10 H10 O3 | | SMILES: | C[CH]1OCc2cc(C=O)ccc2O1 | | InChi: | InChI=1S/C10H10O3/c1-7-12-6-9-4-8(5-11)2-3-10(9)13-7/h2-5,7H,6H2,1H3/t7-/m0/s1 | | Synonyms: | (2S)-2-methyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde | | Definition date: | 2020-06-12 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (2~{S})-2-methyl-4~{H}-1,3-benzodioxine-6-carbaldehyde |
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 | | GFX | | Name: | methyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical | | Formula: | C10 H17 N O3 | | SMILES: | CC1(C)C(=CC(C)(C)N1O)C(=O)OC | | InChi: | InChI=1S/C10H17NO3/c1-9(2)6-7(8(12)14-5)10(3,4)11(9)13/h6,13H,1-5H3 | | Definition date: | 2023-07-20 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | methyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate |
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 | | A1AAY | | Name: | {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone | | Formula: | C28 H26 N4 O | | SMILES: | CN(C)C1CCN(C1)C(=O)c1cc2c(cc1)[NH]nc2C#Cc1ccccc1c1ccccc1 | | InChi: | InChI=1S/C28H26N4O/c1-31(2)23-16-17-32(19-23)28(33)22-13-15-27-25(18-22)26(29-30-27)14-12-21-10-6-7-11-24(21)20-8-4-3-5-9-20/h3-11,13,15,18,23H,16-17,19H2,1-2H3,(H,29,30)/t23-/m1/s1 | | Definition date: | 2024-01-02 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone |
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 | | A1ADC | | Name: | [2-chloranyl-4-[[[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]-fluoranyl-oxidanylidene-$l^{5}-sulfanyl]amino]phenyl]-[(2~{S})-2-phenylmorpholin-4-yl]methanone | | Formula: | C23 H28 Cl F N4 O3 S | | SMILES: | O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl | | InChi: | InChI=1S/C23H28ClFN4O3S/c1-27(2)19-10-11-29(15-19)33(25,31)26-18-8-9-20(21(24)14-18)23(30)28-12-13-32-22(16-28)17-6-4-3-5-7-17/h3-9,14,19,22H,10-13,15-16H2,1-2H3/t19-,22+,33+/m0/s1 | | Definition date: | 2024-01-19 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (S~1~S,3S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride |
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 | | A1ADD | | Name: | (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride | | Formula: | C23 H27 Cl2 F N4 O3 S | | SMILES: | O=C(N1CC(OCC1)c1ccccc1)c1c(Cl)cc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl | | InChi: | InChI=1S/C23H27Cl2FN4O3S/c1-28(2)18-8-9-30(14-18)34(26,32)27-17-12-19(24)22(20(25)13-17)23(31)29-10-11-33-21(15-29)16-6-4-3-5-7-16/h3-7,12-13,18,21H,8-11,14-15H2,1-2H3/t18-,21+,34+/m0/s1 | | Definition date: | 2024-01-19 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride |
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