 | | A1E1S | | Name: | [[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (~{Z})-octadec-9-enoate | | Formula: | C28 H46 N5 O8 P | | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C28H46N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h9-10,19-21,24-25,28,35-36H,2-8,11-18H2,1H3,(H,37,38)(H2,29,30,31)/b10-9-/t21-,24-,25+,28-/m1/s1 | | Definition date: | 2025-12-08 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | [[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (~{Z})-octadec-9-enoate |
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 | | A1B6E | | Name: | N-[4-(3-chloro-4-fluoroanilino)-7-{[(3S)-oxolan-3-yl]oxy}quinazolin-6-yl]cyclobutanesulfonamide | | Formula: | C22 H22 Cl F N4 O4 S | | SMILES: | Fc1ccc(cc1Cl)Nc1ncnc2cc(OC3CCOC3)c(cc21)NS(=O)(=O)C1CCC1 | | InChi: | InChI=1S/C22H22ClFN4O4S/c23-17-8-13(4-5-18(17)24)27-22-16-9-20(28-33(29,30)15-2-1-3-15)21(10-19(16)25-12-26-22)32-14-6-7-31-11-14/h4-5,8-10,12,14-15,28H,1-3,6-7,11H2,(H,25,26,27)/t14-/m0/s1 | | Definition date: | 2025-03-24 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | N-[4-(3-chloro-4-fluoroanilino)-7-{[(3S)-oxolan-3-yl]oxy}quinazolin-6-yl]cyclobutanesulfonamide |
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 | | A1C13 | | Name: | N-(3'-methyl-5'-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}[1,1'-biphenyl]-4-yl)prop-2-enamide | | Formula: | C21 H17 F3 N4 O | | SMILES: | C=CC(=O)Nc1ccc(cc1)c1cc(cc(C)c1)Nc1nc(ccn1)C(F)(F)F | | InChi: | InChI=1S/C21H17F3N4O/c1-3-19(29)26-16-6-4-14(5-7-16)15-10-13(2)11-17(12-15)27-20-25-9-8-18(28-20)21(22,23)24/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28) | | Synonyms: | cLIMK1i | | Definition date: | 2025-12-02 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | N-(3'-methyl-5'-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}[1,1'-biphenyl]-4-yl)prop-2-enamide |
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 | | A1C42 | | Name: | butyl [3-{4-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl}-5-(2-methylpropyl)thiophene-2-sulfonyl]carbamate | | Formula: | C30 H38 N4 O4 S2 | | SMILES: | O=S(=O)(NC(=O)OCCCC)c1sc(cc1c1ccc(Cn2c3nc(C)cc(C)c3nc2CC)cc1)CC(C)C | | InChi: | InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35) | | Synonyms: | L-162,313 | | Definition date: | 2026-01-15 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | butyl [3-{4-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl}-5-(2-methylpropyl)thiophene-2-sulfonyl]carbamate |
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 | | A1C49 | | Name: | [[(2~{R},3~{R},4~{R},5~{S})-5-(5-aminocarbonyl-6-azanyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C11 H17 F N3 O14 P3 | | SMILES: | NC(=O)C1=C(N)NC(=O)C(=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2F | | InChi: | InChI=1S/C11H17FN3O14P3/c12-6-7(16)5(2-26-31(22,23)29-32(24,25)28-30(19,20)21)27-8(6)3-1-4(10(14)17)9(13)15-11(3)18/h1,5-8,16H,2H2,(H2,14,17)(H,22,23)(H,24,25)(H3,13,15,18)(H2,19,20,21)/t5-,6-,7-,8+/m1/s1 | | Definition date: | 2026-01-20 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | [[(2~{R},3~{R},4~{R},5~{S})-5-(5-aminocarbonyl-6-azanyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | A1DBJ | | Name: | 1-methyl-4-nitro-1H-imidazole | | Formula: | C4 H5 N3 O2 | | SMILES: | [O-][N+](=O)c1cn(C)cn1 | | InChi: | InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3 | | Definition date: | 2026-03-26 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | 1-methyl-4-nitro-1H-imidazole |
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 | | A1DCH | | Name: | pyridinium-3,5-bisthiocarboxylic acid adenine dinucleotide | | Formula: | C22 H29 N6 O15 P2 S2 | | SMILES: | Nc1ncnc2c1ncn2CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC([n+]2cc(cc(c2)C(=O)S)C(=O)S)C(O)C1O | | InChi: | InChI=1S/C22H28N6O15P2S2/c23-18-14-19(25-7-24-18)28(8-26-14)4-11(29)15(31)12(30)5-40-44(36,37)43-45(38,39)41-6-13-16(32)17(33)20(42-13)27-2-9(21(34)46)1-10(3-27)22(35)47/h1-3,7-8,11-13,15-17,20,29-33H,4-6H2,(H5-,23,24,25,34,35,36,37,38,39,46,47)/p+1/t11-,12+,13+,15-,16+,17+,20+/m0/s1 | | Definition date: | 2026-04-10 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | 1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4S)-5-(6-amino-9H-purin-9-yl)-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3,5-bis(sulfanylcarbonyl)pyridin-1-ium (non-preferred name) |
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 | | A1EUA | | Name: | (2~{R})-2-phenylmorpholine | | Formula: | C10 H13 N O | | SMILES: | C1CO[CH](CN1)c2ccccc2 | | InChi: | InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2/t10-/m0/s1 | | Definition date: | 2025-07-27 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | (2~{R})-2-phenylmorpholine |
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 | | A1EUB | | Name: | (2~{R})-2-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine | | Formula: | C14 H19 N | | SMILES: | C1CN[CH](C1)[CH]2CCCc3ccccc23 | | InChi: | InChI=1S/C14H19N/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-15-14/h1-2,5,7,13-15H,3-4,6,8-10H2/t13-,14+/m0/s1 | | Definition date: | 2025-07-28 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | (2~{R})-2-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine |
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 | | A1EUZ | | Name: | ~{N}-(3-chlorophenyl)-~{N},1-dimethyl-indazol-5-amine | | Formula: | C15 H14 Cl N3 | | SMILES: | Cn1ncc2cc(ccc12)N(C)c3cccc(Cl)c3 | | InChi: | InChI=1S/C15H14ClN3/c1-18(13-5-3-4-12(16)9-13)14-6-7-15-11(8-14)10-17-19(15)2/h3-10H,1-2H3 | | Definition date: | 2025-08-06 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | ~{N}-(3-chlorophenyl)-~{N},1-dimethyl-indazol-5-amine |
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 | | A1EVC | | Name: | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)thieno[2,3-d]pyrimidin-4-amine | | Formula: | C15 H12 Cl N5 S | | SMILES: | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4sccc34 | | InChi: | InChI=1S/C15H12ClN5S/c1-20(10-3-4-12-9(7-10)8-17-21(12)2)13-11-5-6-22-14(11)19-15(16)18-13/h3-8H,1-2H3 | | Definition date: | 2025-08-07 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)thieno[2,3-d]pyrimidin-4-amine |
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 | | A1EVF | | Name: | ~{N}-(2-chloranyl-5-methyl-pyrimidin-4-yl)-~{N},1-dimethyl-indazol-5-amine | | Formula: | C14 H14 Cl N5 | | SMILES: | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)ncc3C | | InChi: | InChI=1S/C14H14ClN5/c1-9-7-16-14(15)18-13(9)19(2)11-4-5-12-10(6-11)8-17-20(12)3/h4-8H,1-3H3 | | Definition date: | 2025-08-07 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | ~{N}-(2-chloranyl-5-methyl-pyrimidin-4-yl)-~{N},1-dimethyl-indazol-5-amine |
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 | | A1J1S | | Name: | 5-oxidanyl-4-[2-[4-[2-[4-[[(3-oxidanylcyclobutyl)amino]methyl]phenyl]ethynyl]phenyl]ethyl]-1~{H}-pyrimidin-6-one | | Formula: | C25 H25 N3 O3 | | SMILES: | O[CH]1C[CH](C1)NCc2ccc(cc2)C#Cc3ccc(CCC4=C(O)C(=O)NC=N4)cc3 | | InChi: | InChI=1S/C25H25N3O3/c29-22-13-21(14-22)26-15-20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)11-12-23-24(30)25(31)28-16-27-23/h3-10,16,21-22,26,29-30H,11-15H2,(H,27,28,31)/t21-,22- | | Definition date: | 2026-03-03 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | 5-oxidanyl-4-[2-[4-[2-[4-[[(3-oxidanylcyclobutyl)amino]methyl]phenyl]ethynyl]phenyl]ethyl]-1~{H}-pyrimidin-6-one |
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 | | A1J1V | | Name: | 4-[(2S)-3-[[(2S)-1-fluoranylpropan-2-yl]amino]-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-5-oxidanyl-1H-pyrimidin-6-one | | Formula: | C29 H33 F N4 O3 | | SMILES: | C[CH](CF)NC[CH](CC1=C(O)C(=O)NC=N1)c2ccc(cc2)C#Cc3ccc(CN4CCOCC4)cc3 | | InChi: | InChI=1S/C29H33FN4O3/c1-21(17-30)31-18-26(16-27-28(35)29(36)33-20-32-27)25-10-8-23(9-11-25)3-2-22-4-6-24(7-5-22)19-34-12-14-37-15-13-34/h4-11,20-21,26,31,35H,12-19H2,1H3,(H,32,33,36)/t21-,26+/m0/s1 | | Definition date: | 2026-03-04 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | 4-[(2~{S})-3-[[(2~{S})-1-fluoranylpropan-2-yl]amino]-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-5-oxidanyl-1~{H}-pyrimidin-6-one |
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 | | A1J95 | | Name: | ~{N}-[4-(furan-2-yl)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C16 H12 N4 O | | SMILES: | [nH]1ccc2c1ncnc2Nc3ccc(cc3)c4occc4 | | InChi: | InChI=1S/C16H12N4O/c1-2-14(21-9-1)11-3-5-12(6-4-11)20-16-13-7-8-17-15(13)18-10-19-16/h1-10H,(H2,17,18,19,20) | | Definition date: | 2026-06-15 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | ~{N}-[4-(furan-2-yl)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | A1JJ9 | | Name: | 2-[3-(1~{H}-indol-3-yl)propyl]-3,4-dihydro-1~{H}-isoquinoline | | Formula: | C20 H22 N2 | | SMILES: | C(CN1CCc2ccccc2C1)Cc3c[nH]c4ccccc34 | | InChi: | InChI=1S/C20H22N2/c1-2-7-18-15-22(13-11-16(18)6-1)12-5-8-17-14-21-20-10-4-3-9-19(17)20/h1-4,6-7,9-10,14,21H,5,8,11-13,15H2 | | Definition date: | 2025-07-16 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | 2-[3-(1~{H}-indol-3-yl)propyl]-3,4-dihydro-1~{H}-isoquinoline |
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 | | A1JJY | | Name: | 2-(4-(2-Phenylethoxy)phenylthiol)propanoyl-CoA | | Formula: | C38 H52 N7 O18 P3 S2 | | SMILES: | C[CH](Sc1ccc(OCCc2ccccc2)cc1)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5c(N)ncnc45 | | InChi: | InChI=1S/C38H52N7O18P3S2/c1-23(68-26-11-9-25(10-12-26)58-17-14-24-7-5-4-6-8-24)37(50)67-18-16-40-28(46)13-15-41-35(49)32(48)38(2,3)20-60-66(56,57)63-65(54,55)59-19-27-31(62-64(51,52)53)30(47)36(61-27)45-22-44-29-33(39)42-21-43-34(29)45/h4-12,21-23,27,30-32,36,47-48H,13-20H2,1-3H3,(H,40,46)(H,41,49)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t23-,27-,30-,31-,32+,36-/m1/s1 | | Synonyms: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},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~{R})-2-[4-(2-phenylethoxy)phenyl]sulfanylpropanethioate | | Definition date: | 2025-07-16 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},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~{R})-2-[4-(2-phenylethoxy)phenyl]sulfanylpropanethioate |
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 | | A1JJZ | | Name: | 2-(4-(2-(3-Trifluoromethylphenethoxy)phenylthiol)propanoyl-CoA | | Formula: | C39 H51 F3 N7 O18 P3 S2 | | SMILES: | C[CH](Sc1ccc(OCCc2cccc(c2)C(F)(F)F)cc1)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5c(N)ncnc45 | | InChi: | InChI=1S/C39H51F3N7O18P3S2/c1-22(72-26-9-7-25(8-10-26)62-15-12-23-5-4-6-24(17-23)39(40,41)42)37(54)71-16-14-44-28(50)11-13-45-35(53)32(52)38(2,3)19-64-70(60,61)67-69(58,59)63-18-27-31(66-68(55,56)57)30(51)36(65-27)49-21-48-29-33(43)46-20-47-34(29)49/h4-10,17,20-22,27,30-32,36,51-52H,11-16,18-19H2,1-3H3,(H,44,50)(H,45,53)(H,58,59)(H,60,61)(H2,43,46,47)(H2,55,56,57)/t22-,27-,30-,31-,32+,36-/m1/s1 | | Synonyms: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},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~{R})-2-[4-[2-[3-(trifluoromethyl)phenyl]ethoxy]phenyl]sulfanylpropanethioate | | Definition date: | 2025-07-16 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},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~{R})-2-[4-[2-[3-(trifluoromethyl)phenyl]ethoxy]phenyl]sulfanylpropanethioate |
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 | | A1JPX | | Name: | FE(8)-S(7) CLUSTER, P1+ state conformer B | | Formula: | Fe8 S7 | | SMILES: | S1[Fe]S[Fe]1.S2[Fe]S[Fe][S]3([Fe]S[Fe]2)[Fe]S[Fe]3 | | InChi: | InChI=1S/8Fe.HS.6S/h | | Definition date: | 2025-09-24 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 |
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 | | A1KEE | | Name: | ~{N}-[(1~{R})-1-cyclohexylethyl]-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-~{N}-methyl-2-methylsulfonyl-benzamide | | Formula: | C24 H30 F N O3 S2 | | SMILES: | CSc1cc(F)ccc1c2ccc(C(=O)N(C)[CH](C)C3CCCCC3)c(c2)[S](C)(=O)=O | | InChi: | InChI=1S/C24H30FNO3S2/c1-16(17-8-6-5-7-9-17)26(2)24(27)21-12-10-18(14-23(21)31(4,28)29)20-13-11-19(25)15-22(20)30-3/h10-17H,5-9H2,1-4H3/t16-/m1/s1 | | Definition date: | 2026-07-21 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | ~{N}-[(1~{R})-1-cyclohexylethyl]-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-~{N}-methyl-2-methylsulfonyl-benzamide |
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 | | A1KEF | | Name: | 4-(4-fluoranyl-2-methylsulfanyl-phenyl)-~{N}-methyl-2-methylsulfonyl-~{N}-[[(1~{S},2~{R})-2-oxidanylcyclohexyl]methyl]benzamide | | Formula: | C23 H28 F N O4 S2 | | SMILES: | CSc1cc(F)ccc1c2ccc(C(=O)N(C)C[CH]3CCCC[CH]3O)c(c2)[S](C)(=O)=O | | InChi: | InChI=1S/C23H28FNO4S2/c1-25(14-16-6-4-5-7-20(16)26)23(27)19-10-8-15(12-22(19)31(3,28)29)18-11-9-17(24)13-21(18)30-2/h8-13,16,20,26H,4-7,14H2,1-3H3/t16-,20+/m0/s1 | | Definition date: | 2026-07-21 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | 4-(4-fluoranyl-2-methylsulfanyl-phenyl)-~{N}-methyl-2-methylsulfonyl-~{N}-[[(1~{S},2~{R})-2-oxidanylcyclohexyl]methyl]benzamide |
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 | | A1KEG | | Name: | ~{N}-[[(1~{S},2~{R})-2-azanylcyclohexyl]methyl]-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-~{N}-methyl-2-methylsulfonyl-benzamide | | Formula: | C23 H29 F N2 O3 S2 | | SMILES: | CSc1cc(F)ccc1c2ccc(C(=O)N(C)C[CH]3CCCC[CH]3N)c(c2)[S](C)(=O)=O | | InChi: | InChI=1S/C23H29FN2O3S2/c1-26(14-16-6-4-5-7-20(16)25)23(27)19-10-8-15(12-22(19)31(3,28)29)18-11-9-17(24)13-21(18)30-2/h8-13,16,20H,4-7,14,25H2,1-3H3/t16-,20+/m0/s1 | | Definition date: | 2026-07-21 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | ~{N}-[[(1~{S},2~{R})-2-azanylcyclohexyl]methyl]-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-~{N}-methyl-2-methylsulfonyl-benzamide |
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 | | A1KEH | | Name: | 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one | | Formula: | C21 H24 N4 O2 | | SMILES: | CCOc1ccccc1N2C(=O)c3ccccc3N=C2CN4CCNCC4 | | InChi: | InChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)25-20(15-24-13-11-22-12-14-24)23-17-8-4-3-7-16(17)21(25)26/h3-10,22H,2,11-15H2,1H3 | | Definition date: | 2026-07-21 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one |
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 | | A1EUM | | Name: | XS8148 | | Formula: | C23 H22 N8 O3 | | SMILES: | CN1CCOCCOC2=Nn3c(C=C2c4cnn(C)c4)ncc3c5cc6cn[nH]c6c(c5)C1=O | | InChi: | InChI=1S/C23H22N8O3/c1-29-3-4-33-5-6-34-22-17(16-11-26-30(2)13-16)9-20-24-12-19(31(20)28-22)14-7-15-10-25-27-21(15)18(8-14)23(29)32/h7-13H,3-6H2,1-2H3,(H,25,27) | | Definition date: | 2025-07-29 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 |
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 | | A1EUO | | Name: | (1~{R},2~{S})-2-[(3-fluoranyl-5,6-dimethoxy-1-benzoselenophen-2-yl)carbonyl]cyclobutane-1-carboxylic acid | | Formula: | C16 H15 F O5 Se | | SMILES: | COc1cc2[se]c(c(F)c2cc1OC)C(=O)[CH]3CC[CH]3C(O)=O | | InChi: | InChI=1S/C16H15FO5Se/c1-21-10-5-9-12(6-11(10)22-2)23-15(13(9)17)14(18)7-3-4-8(7)16(19)20/h5-8H,3-4H2,1-2H3,(H,19,20)/t7-,8+/m0/s1 | | Definition date: | 2025-08-01 | | Last modified: | 2026-07-24 | | Release date: | 2026-07-29 | | Identifier: | (1~{R},2~{S})-2-[(3-fluoranyl-5,6-dimethoxy-1-benzoselenophen-2-yl)carbonyl]cyclobutane-1-carboxylic acid |
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