 | | UWC | | Name: | methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate | | Formula: | C27 H32 N8 O5 | | SMILES: | CCN1C(=O)NC(=O)c2n(Cc3cccc(c3)C(=O)NC[CH](N)C(=O)OC)c(Cc4cn5CCCCc5n4)nc12 | | InChi: | InChI=1S/C27H32N8O5/c1-3-34-23-22(25(37)32-27(34)39)35(21(31-23)12-18-15-33-10-5-4-9-20(33)30-18)14-16-7-6-8-17(11-16)24(36)29-13-19(28)26(38)40-2/h6-8,11,15,19H,3-5,9-10,12-14,28H2,1-2H3,(H,29,36)(H,32,37,39)/t19-/m0/s1 | | Definition date: | 2023-02-14 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate |
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 | | V5K | | Name: | propan-2-yl 1~{H}-pyrazole-3-carboxylate | | Formula: | C7 H10 N2 O2 | | SMILES: | CC(C)OC(=O)c1cc[nH]n1 | | InChi: | InChI=1S/C7H10N2O2/c1-5(2)11-7(10)6-3-4-8-9-6/h3-5H,1-2H3,(H,8,9) | | Definition date: | 2023-02-22 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | propan-2-yl 1~{H}-pyrazole-3-carboxylate |
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 | | YHU | | Name: | ~{N}-propan-2-yl-1~{H}-imidazole-4-carboxamide | | Formula: | C7 H11 N3 O | | SMILES: | CC(C)NC(=O)c1c[nH]cn1 | | InChi: | InChI=1S/C7H11N3O/c1-5(2)10-7(11)6-3-8-4-9-6/h3-5H,1-2H3,(H,8,9)(H,10,11) | | Definition date: | 2023-06-19 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | ~{N}-propan-2-yl-1~{H}-imidazole-4-carboxamide |
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 | | W4T | | Name: | 3-bromo-S-beta-phenylalanine | | Formula: | C9 H10 Br N O2 | | SMILES: | N[CH](CC(O)=O)c1cccc(Br)c1 | | InChi: | InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Synonyms: | (3S)-3-azanyl-3-(3-bromophenyl)propanoic acid | | Definition date: | 2023-04-28 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | (3~{S})-3-azanyl-3-(3-bromophenyl)propanoic acid |
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 | | SJ0 | | Name: | N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide | | Formula: | C23 H24 N6 O2 | | SMILES: | CN1CCC(C1)COc1cnc(C#N)cc1c1ccn2nc(cc2c1)NC(=O)C1CC1 | | InChi: | InChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1 | | Definition date: | 2023-08-25 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide |
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 | | TO9 | | Name: | (2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid | | Formula: | C9 H10 O5 | | SMILES: | O[CH](Cc1ccc(O)c(O)c1)C(O)=O | | InChi: | InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1 | | Synonyms: | Danshensu | | Definition date: | 2023-04-28 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | (2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid |
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 | | FEI | | Name: | 2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid | | Formula: | C37 H46 N6 O10 S2 | | SMILES: | CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)NCC[S](O)(=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C | | InChi: | InChI=1S/C37H46N6O10S2/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30/h7-8,17-18,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,43,46)(H,48,49,50)(H,51,52,53)/b30-17+,31-18- | | Synonyms: | bilirubin ditaurate | | Definition date: | 2023-07-05 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | 2-[3-[5-[(~{E})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoylamino]ethanesulfonic acid |
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 | | 7XZ | | Name: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid | | Formula: | C18 H19 N O8 | | SMILES: | COc1ccc2C(=C(CCC(=O)N(CC(O)=O)CC(O)=O)C(=O)Oc2c1)C | | InChi: | InChI=1S/C18H19NO8/c1-10-12-4-3-11(26-2)7-14(12)27-18(25)13(10)5-6-15(20)19(8-16(21)22)9-17(23)24/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24) | | Synonyms: | ZINC2104681 | | Definition date: | 2023-03-15 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid |
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 | | SG0 | | Name: | 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide | | Formula: | C13 H17 N3 O2 S | | SMILES: | CC(C)Oc1ccc([CH](N)O)c2cc(sc12)C(N)=N | | InChi: | InChI=1S/C13H17N3O2S/c1-6(2)18-9-4-3-7(13(16)17)8-5-10(12(14)15)19-11(8)9/h3-6,13,17H,16H2,1-2H3,(H3,14,15)/t13-/m1/s1 | | Definition date: | 2022-12-15 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
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 | | SJ4 | | Name: | Fusicoccin J-acetonide | | Formula: | C30 H50 O9 | | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(C[CH](O)[C]5(C)C[CH]12)C(C)C | | InChi: | InChI=1S/C30H50O9/c1-14(2)18-10-21(31)30(6)11-19-16(12-35-7)8-9-17(19)15(3)23(32)27(22(18)30)38-28-25(34)24(33)26-20(37-28)13-36-29(4,5)39-26/h14-17,19-21,23-28,31-34H,8-13H2,1-7H3/t15-,16-,17+,19-,20-,21+,23-,24-,25-,26-,27-,28-,30+/m1/s1 | | Synonyms: | (4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol | | Definition date: | 2022-12-15 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol |
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 | | SY0 | | Name: | (2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide | | Formula: | C15 H21 N5 O3 | | SMILES: | CCNC(=O)[CH](C)NC(=O)Cn1cc(cn1)c2c(C)onc2C | | InChi: | InChI=1S/C15H21N5O3/c1-5-16-15(22)10(3)18-13(21)8-20-7-12(6-17-20)14-9(2)19-23-11(14)4/h6-7,10H,5,8H2,1-4H3,(H,16,22)(H,18,21)/t10-/m0/s1 | | Definition date: | 2022-12-20 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide |
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 | | KW3 | | Name: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid | | Formula: | C30 H36 N O11 P | | SMILES: | CCOC[CH](COC(=O)CCc1ccccc1OCc2cccc(Oc3ccccc3)c2)O[P](O)(=O)OC[CH](N)C(O)=O | | InChi: | InChI=1S/C30H36NO11P/c1-2-37-19-26(42-43(35,36)40-21-27(31)30(33)34)20-39-29(32)16-15-23-10-6-7-14-28(23)38-18-22-9-8-13-25(17-22)41-24-11-4-3-5-12-24/h3-14,17,26-27H,2,15-16,18-21,31H2,1H3,(H,33,34)(H,35,36)/t26-,27+/m1/s1 | | Definition date: | 2022-10-21 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid |
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 | | YQK | | Name: | (2~{E})-2-[(~{Z})-[2-methyl-3-oxidanyl-5-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]-1~{H}-pyridin-4-ylidene]methyl]imino-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-1~{H}-indol-3-yl]propanoic acid | | Formula: | C19 H20 N3 O9 P | | SMILES: | O=P(O)(O)OCC/1=CNC(C)=C(O)C1=CN=C(/CC1(O)c2ccccc2NC1=O)C(=O)O | | InChi: | InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,20,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b12-8-,21-15+/t19-/m0/s1 | | Definition date: | 2023-12-11 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]propanoic acid |
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 | | XUH | | Name: | (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol | | Formula: | C20 H24 N2 O | | SMILES: | OC(CNC1CCCC1)Cn1c2ccccc2c2ccccc21 | | InChi: | InChI=1S/C20H24N2O/c23-16(13-21-15-7-1-2-8-15)14-22-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h3-6,9-12,15-16,21,23H,1-2,7-8,13-14H2/t16-/m1/s1 | | Definition date: | 2022-12-12 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol |
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 | | XUN | | Name: | (2S)-1-(2,3-dimethyl-1H-indol-1-yl)-3-{[(1S,2S)-2-methylcyclohexyl]amino}propan-2-ol | | Formula: | C20 H30 N2 O | | SMILES: | CC1CCCCC1NCC(O)Cn1c2ccccc2c(C)c1C | | InChi: | InChI=1S/C20H30N2O/c1-14-8-4-6-10-19(14)21-12-17(23)13-22-16(3)15(2)18-9-5-7-11-20(18)22/h5,7,9,11,14,17,19,21,23H,4,6,8,10,12-13H2,1-3H3/t14-,17-,19-/m0/s1 | | Definition date: | 2022-12-12 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | (2S)-1-(2,3-dimethyl-1H-indol-1-yl)-3-{[(1S,2S)-2-methylcyclohexyl]amino}propan-2-ol |
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 | | L9H | | Name: | [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate | | Formula: | C45 H89 O12 P | | SMILES: | CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C45H89O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-54-36-38(37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51)56-39(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,40-45,47-51H,3-37H2,1-2H3,(H,52,53)/t38-,40-,41-,42+,43-,44-,45-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate |
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 | | LYI | | Name: | [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate | | Formula: | C47 H85 O12 P | | SMILES: | CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC | | InChi: | InChI=1S/C47H85O12P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(48)58-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)38-56-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,40,42-47,49-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-39H2,1-2H3,(H,54,55)/b13-11-,19-17-,24-22-,30-28-/t40-,42-,43-,44+,45-,46-,47-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate |
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 | | O4C | | Name: | 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one | | Formula: | C16 H17 N5 O3 | | SMILES: | CC(C)N1N=Nc2ccc(c(C)c2C1=O)C(=O)C3=CNN(C)C3=O | | InChi: | InChI=1S/C16H17N5O3/c1-8(2)21-16(24)13-9(3)10(5-6-12(13)18-19-21)14(22)11-7-17-20(4)15(11)23/h5-8,17H,1-4H3 | | Definition date: | 2023-01-20 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | 5-methyl-6-[(2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one |
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 | | Q5L | | Name: | N-(propan-2-yl)-1H-pyrazole-3-carboxamide | | Formula: | C7 H11 N3 O | | SMILES: | O=C(NC(C)C)c1cc[NH]n1 | | InChi: | InChI=1S/C7H11N3O/c1-5(2)9-7(11)6-3-4-8-10-6/h3-5H,1-2H3,(H,8,10)(H,9,11) | | Definition date: | 2022-06-01 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | N-(propan-2-yl)-1H-pyrazole-3-carboxamide |
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 | | Q63 | | Name: | ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate | | Formula: | C9 H12 F N O4 | | SMILES: | Cc1cc(no1)C(O)C(F)C(=O)OCC | | InChi: | InChI=1S/C9H12FNO4/c1-3-14-9(13)7(10)8(12)6-4-5(2)15-11-6/h4,7-8,12H,3H2,1-2H3 | | Definition date: | 2022-06-01 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate |
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 | | Q6C | | Name: | ethyl (2R,3S)-3-(4-chloropyridin-2-yl)-2-fluoro-3-hydroxypropanoate | | Formula: | C10 H11 Cl F N O3 | | SMILES: | Clc1ccnc(c1)C(O)C(F)C(=O)OCC | | InChi: | InChI=1S/C10H11ClFNO3/c1-2-16-10(15)8(12)9(14)7-5-6(11)3-4-13-7/h3-5,8-9,14H,2H2,1H3 | | Definition date: | 2022-06-01 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | ethyl (2R,3S)-3-(4-chloropyridin-2-yl)-2-fluoro-3-hydroxypropanoate |
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 | | Q76 | | Name: | N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide | | Formula: | C7 H9 F3 N4 O | | SMILES: | FC(F)(F)c1cc(NC(=O)C(C)N)[NH]n1 | | InChi: | InChI=1S/C7H9F3N4O/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10/h2-3H,11H2,1H3,(H2,12,13,14,15) | | Definition date: | 2022-06-01 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide |
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 | | XJB | | Name: | 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid | | Formula: | C23 H26 N4 O5 | | SMILES: | Nc1nc(c2ccc(OC)cc2)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | | InChi: | InChI=1S/C23H26N4O5/c1-30-17-10-7-16(8-11-17)20-21(22(24)27-23(25)26-20)32-14-4-13-31-18-6-3-2-5-15(18)9-12-19(28)29/h2-3,5-8,10-11H,4,9,12-14H2,1H3,(H,28,29)(H4,24,25,26,27) | | Definition date: | 2022-11-22 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid |
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 | | XJN | | Name: | 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid | | Formula: | C21 H30 N4 O4 | | SMILES: | Nc1nc(CCCCC)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | | InChi: | InChI=1S/C21H30N4O4/c1-2-3-4-9-16-19(20(22)25-21(23)24-16)29-14-7-13-28-17-10-6-5-8-15(17)11-12-18(26)27/h5-6,8,10H,2-4,7,9,11-14H2,1H3,(H,26,27)(H4,22,23,24,25) | | Definition date: | 2022-11-23 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid |
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 | | XJT | | Name: | 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid | | Formula: | C23 H23 F3 N4 O4 | | SMILES: | Nc1nc(c2cc(ccc2)C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | | InChi: | InChI=1S/C23H23F3N4O4/c24-23(25,26)16-7-3-6-15(13-16)19-20(21(27)30-22(28)29-19)34-12-4-11-33-17-8-2-1-5-14(17)9-10-18(31)32/h1-3,5-8,13H,4,9-12H2,(H,31,32)(H4,27,28,29,30) | | Definition date: | 2022-11-23 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid |
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