 | | EIF | | Name: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C11 H15 F N5 O7 P | | SMILES: | C[C]1(F)[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N | | InChi: | InChI=1S/C11H15FN5O7P/c1-11(12)6(18)4(2-23-25(20,21)22)24-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1 | | Definition date: | 2023-07-18 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | I7G | | Name: | ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate | | Formula: | C12 H21 N O2 S | | SMILES: | CCCCCC=CC(=O)SCCNC(C)=O | | InChi: | InChI=1S/C12H21NO2S/c1-3-4-5-6-7-8-12(15)16-10-9-13-11(2)14/h7-8H,3-6,9-10H2,1-2H3,(H,13,14)/b8-7+ | | Synonyms: | S-2-acetamidoethyl (e)-oct-2-enethioate | | Definition date: | 2023-07-26 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate |
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 | | IR0 | | Name: | P8W48O184 polyoxometalate | | Formula: | O184 P8 W48 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[P]23O[W]45O[W]67O[P]89O[W]%10%11O[W]1%12O[W]%13%14O[W]%15(O%12)O[W]%16%17O[W]%18%19O[P]%20%21O[W]%22%23O[W]%24%25O[P]%26%27O[W]%28(O%18)O[W]%29%30O[W](O%19)(O%16)O[W]%31(O%20)(O%22)O[W](O%21)(O%17)(O%23)O[W](O2)(O%15)(O4)O[W](O3)(O%13)(O5)O[W]%32(O8)(O[W](O%10)(O%14)O[W]%33(O%11)O[W]%34%35O[W]%36%37O[P]%38%39O[W]%40%41O[W]%42%43O[P]%44%45O[W]%46(O%36)O[W]%47%48O[W](O%37)(O%34)O[W](O%38)(O%40)(O[W](O%39)(O%35)(O%41)O[W](O9)(O%33)(O6)O%32)O[W](O%44)(O%47)(O%42)O[W]%49(O%45)(O[W](O%46)(O%48)O[W]%50%51O[W]%52%53O[P]%54%55O[W]%56%57O[W]%58%59O[P]%60%61O[W]%62(O%52)O[W]%63%64O[W](O%28)(O%29)O[W](O%26)(O%24)(O[W](O%27)(O%30)(O%25)O%31)O[W](O%60)(O%63)(O%58)O[W]%65(O%61)(O[W](O%62)(O%64)O[W](O%53)(O%50)O[W](O%54)(O%56)(O%65)O[W](O%55)(O%51)(O%57)O%49)O%59)O%43)O7 | | InChi: | InChI=1S/8HO4P.64H2O.88O.48W/c8*1-5(2,3)4 | | Definition date: | 2023-08-03 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 |
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 | | XTE | | Name: | E-CFCP-triphosphate | | Formula: | C13 H16 F N6 O12 P3 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[C](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)(C#N)C3=CF | | InChi: | InChI=1S/C13H16FN6O12P3/c14-2-6-7(20-5-17-9-10(20)18-12(16)19-11(9)22)1-8(21)13(6,3-15)4-30-34(26,27)32-35(28,29)31-33(23,24)25/h2,5,7-8,21H,1,4H2,(H,26,27)(H,28,29)(H2,23,24,25)(H3,16,18,19,22)/b6-2-/t7-,8-,13-/m0/s1 | | Synonyms: | [[(1~{S},2~{E},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-1-cyano-2-(fluoranylmethylidene)-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Definition date: | 2023-11-10 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | [[(1~{S},2~{E},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-1-cyano-2-(fluoranylmethylidene)-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | ZQT | | Name: | 9H-xanthene-1,3,6,8-tetrol | | Formula: | C13 H10 O5 | | SMILES: | Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21 | | InChi: | InChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2 | | Definition date: | 2023-07-03 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | 9H-xanthene-1,3,6,8-tetrol |
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 | | A1APU | | Name: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide | | Formula: | C36 H35 N3 O4 S | | SMILES: | CNC(=O)C(Cc1ccc(C)c(OC)c1)NC(=O)CSc1ccc2ccccc2c1c1cncc(OCc2ccccc2)c1 | | InChi: | InChI=1S/C36H35N3O4S/c1-24-13-14-26(18-32(24)42-3)17-31(36(41)37-2)39-34(40)23-44-33-16-15-27-11-7-8-12-30(27)35(33)28-19-29(21-38-20-28)43-22-25-9-5-4-6-10-25/h4-16,18-21,31H,17,22-23H2,1-3H3,(H,37,41)(H,39,40)/t31-/m0/s1 | | Definition date: | 2024-04-26 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide |
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 | | A1APV | | Name: | Naloxone | | Formula: | C19 H21 N O4 | | SMILES: | O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c54 | | InChi: | InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | | Synonyms: | 3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one | | Definition date: | 2024-04-26 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | 3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one |
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 | | VIM | | Name: | 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid | | Formula: | C13 H8 Cl F O3 | | SMILES: | OC(=O)c1c(Cl)cccc1Oc2ccc(F)cc2 | | InChi: | InChI=1S/C13H8ClFO3/c14-10-2-1-3-11(12(10)13(16)17)18-9-6-4-8(15)5-7-9/h1-7H,(H,16,17) | | Definition date: | 2023-07-25 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid |
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 | | WUO | | Name: | acyl-phosphatidyl-myo-inositol dimannoside (AcPIM2) | | Formula: | C72 H135 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)CCCCCCCC[CH](C)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C72H135O24P/c1-5-8-11-14-17-19-21-23-25-27-29-35-41-46-57(75)89-51-55-60(78)62(80)67(85)72(93-55)95-69-65(83)63(81)64(82)68(94-71-66(84)61(79)59(77)54(48-73)92-71)70(69)96-97(86,87)90-50-53(91-58(76)47-42-37-30-28-26-24-22-20-18-15-12-9-6-2)49-88-56(74)45-40-36-32-31-34-39-44-52(4)43-38-33-16-13-10-7-3/h52-55,59-73,77-85H,5-51H2,1-4H3,(H,86,87)/t52-,53-,54-,55-,59-,60-,61+,62+,63+,64+,65-,66+,67+,68-,69-,70+,71-,72-/m1/s1 | | Synonyms: | [(2R)-2-[(10E,13E)-hexadeca-10,13-dienoyl]oxy-3-[[(1S,2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propyl] (10R)-10-methyloctadecanoate | | Definition date: | 2023-05-18 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | [(2~{R})-2-hexadecanoyloxy-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-propyl] (10~{R})-10-methyloctadecanoate |
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 | | A1H1V | | Name: | 3-O-sulfo-alpha-L-idopyranuronic acid | | Formula: | C6 H10 O10 S | | SMILES: | O[CH]1O[CH]([CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(O)=O | | InChi: | InChI=1S/C6H10O10S/c7-1-3(16-17(12,13)14)2(8)6(11)15-4(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4+,6+/m0/s1 | | Synonyms: | O3-SULFO-GLUCURONIC ACID | | Definition date: | 2024-01-09 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-3,5,6-tris(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid |
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 | | FH6 | | Name: | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal | | Formula: | C8 H14 N2 O2 S | | SMILES: | C[CH]1NC(=O)C[CH]1SC[CH](N)C=O | | InChi: | InChI=1S/C8H14N2O2S/c1-5-7(2-8(12)10-5)13-4-6(9)3-11/h3,5-7H,2,4,9H2,1H3,(H,10,12)/t5-,6+,7+/m0/s1 | | Definition date: | 2023-07-19 | | Last modified: | 2024-07-10 | | Release date: | 2024-05-08 | | Identifier: | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal |
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 | | YV8 | | Name: | 7-[(1~{S})-1-[(5~{S})-5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C25 H28 F N3 O6 S | | SMILES: | C[CH](N1C[CH](CCCN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4 | | InChi: | InChI=1S/C25H28FN3O6S/c1-14(29-12-17(5-4-10-27)35-25(29)32)18-6-3-7-19-21(23(24(30)31)28-22(18)19)15-8-9-16(20(26)11-15)13-36(2,33)34/h3,6-9,11,14,17,28H,4-5,10,12-13,27H2,1-2H3,(H,30,31)/t14-,17-/m0/s1 | | Definition date: | 2023-06-21 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-[(5~{S})-5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | YVC | | Name: | 7-[(1~{S})-1-[5-[(2-azanylethanoylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C25 H27 F N4 O7 S | | SMILES: | C[CH](N1C[CH](CNC(=O)CN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4 | | InChi: | InChI=1S/C25H27FN4O7S/c1-13(30-11-16(37-25(30)34)10-28-20(31)9-27)17-4-3-5-18-21(23(24(32)33)29-22(17)18)14-6-7-15(19(26)8-14)12-38(2,35)36/h3-8,13,16,29H,9-12,27H2,1-2H3,(H,28,31)(H,32,33)/t13-,16-/m0/s1 | | Definition date: | 2023-06-21 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-[5-[(2-azanylethanoylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | U3I | | Name: | (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione | | Formula: | C22 H29 N3 O4 | | SMILES: | CCN1CCCCC1C(C)Oc1cc2CN(C3CCC(=O)NC3=O)C(=O)c2cc1 | | InChi: | InChI=1S/C22H29N3O4/c1-3-24-11-5-4-6-18(24)14(2)29-16-7-8-17-15(12-16)13-25(22(17)28)19-9-10-20(26)23-21(19)27/h7-8,12,14,18-19H,3-6,9-11,13H2,1-2H3,(H,23,26,27)/t14-,18-,19+/m1/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione |
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 | | YVH | | Name: | 7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C25 H26 F N5 O6 S | | SMILES: | C[CH](N1CC2(CN(C2)C(N)=N)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5 | | InChi: | InChI=1S/C25H26FN5O6S/c1-13(31-12-25(37-24(31)34)10-30(11-25)23(27)28)16-4-3-5-17-19(21(22(32)33)29-20(16)17)14-6-7-15(18(26)8-14)9-38(2,35)36/h3-8,13,29H,9-12H2,1-2H3,(H3,27,28)(H,32,33)/t13-/m0/s1 | | Definition date: | 2023-06-21 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | YVO | | Name: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1~{H}-indole-2-carboxylic acid | | Formula: | C26 H26 N4 O5 | | SMILES: | C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc6NC(=O)Cc6c5 | | InChi: | InChI=1S/C26H26N4O5/c1-13(30-12-26(35-25(30)34)9-14(10-26)11-27)17-3-2-4-18-21(23(24(32)33)29-22(17)18)15-5-6-19-16(7-15)8-20(31)28-19/h2-7,13-14,29H,8-12,27H2,1H3,(H,28,31)(H,32,33)/t13-,14-,26-/m0/s1 | | Definition date: | 2023-06-21 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1~{H}-indole-2-carboxylic acid |
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 | | YVW | | Name: | (5~{S})-5-(1~{H}-indol-2-yl)piperazin-2-one | | Formula: | C12 H13 N3 O | | SMILES: | O=C1CN[CH](CN1)c2[nH]c3ccccc3c2 | | InChi: | InChI=1S/C12H13N3O/c16-12-7-13-11(6-14-12)10-5-8-3-1-2-4-9(8)15-10/h1-5,11,13,15H,6-7H2,(H,14,16)/t11-/m0/s1 | | Definition date: | 2023-06-21 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | (5~{S})-5-(1~{H}-indol-2-yl)piperazin-2-one |
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 | | YJZ | | Name: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-methoxypyridin-4-yl)-1~{H}-indole-2-carboxylic acid | | Formula: | C24 H26 N4 O5 | | SMILES: | COc1cc(ccn1)c2c([nH]c3c(cccc23)[CH](C)N4C[C]5(C[CH](CN)C5)OC4=O)C(O)=O | | InChi: | InChI=1S/C24H26N4O5/c1-13(28-12-24(33-23(28)31)9-14(10-24)11-25)16-4-3-5-17-19(21(22(29)30)27-20(16)17)15-6-7-26-18(8-15)32-2/h3-8,13-14,27H,9-12,25H2,1-2H3,(H,29,30)/t13-,14-,24-/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-methoxypyridin-4-yl)-1~{H}-indole-2-carboxylic acid |
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 | | YK5 | | Name: | 7-[(1~{S})-1-[5-(carbamimidamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C24 H26 F N5 O6 S | | SMILES: | C[CH](N1C[CH](CNC(N)=N)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4 | | InChi: | InChI=1S/C24H26FN5O6S/c1-12(30-10-15(36-24(30)33)9-28-23(26)27)16-4-3-5-17-19(21(22(31)32)29-20(16)17)13-6-7-14(18(25)8-13)11-37(2,34)35/h3-8,12,15,29H,9-11H2,1-2H3,(H,31,32)(H4,26,27,28)/t12-,15+/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-[5-(carbamimidamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | YKH | | Name: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-methoxy-5-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid | | Formula: | C24 H26 N4 O6 | | SMILES: | COc1ncc(cc1O)c2c([nH]c3c(cccc23)[CH](C)N4C[C]5(C[CH](CN)C5)OC4=O)C(O)=O | | InChi: | InChI=1S/C24H26N4O6/c1-12(28-11-24(34-23(28)32)7-13(8-24)9-25)15-4-3-5-16-18(20(22(30)31)27-19(15)16)14-6-17(29)21(33-2)26-10-14/h3-6,10,12-13,27,29H,7-9,11,25H2,1-2H3,(H,30,31)/t12-,13-,24-/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-methoxy-5-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid |
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 | | YKO | | Name: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid | | Formula: | C23 H23 F N4 O5 | | SMILES: | C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4C5=CNC(=O)C(=C5)F | | InChi: | InChI=1S/C23H23FN4O5/c1-11(28-10-23(33-22(28)32)6-12(7-23)8-25)14-3-2-4-15-17(19(21(30)31)27-18(14)15)13-5-16(24)20(29)26-9-13/h2-5,9,11-12,27H,6-8,10,25H2,1H3,(H,26,29)(H,30,31)/t11-,12-,23-/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid |
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 | | YKZ | | Name: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid | | Formula: | C23 H24 N4 O5 | | SMILES: | C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5cncc(O)c5 | | InChi: | InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)6-13(7-23)8-24)16-3-2-4-17-18(14-5-15(28)10-25-9-14)20(21(29)30)26-19(16)17/h2-5,9-10,12-13,26,28H,6-8,11,24H2,1H3,(H,29,30)/t12-,13-,23-/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid |
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 | | XU8 | | Name: | {4-[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetamido)methyl]-1H-1,2,3-triazol-1-yl}acetic acid | | Formula: | C18 H24 N4 O3 S | | SMILES: | OC(=O)Cn1cc(CNC(=O)CSCc2ccc(cc2)C(C)(C)C)nn1 | | InChi: | InChI=1S/C18H24N4O3S/c1-18(2,3)14-6-4-13(5-7-14)11-26-12-16(23)19-8-15-9-22(21-20-15)10-17(24)25/h4-7,9H,8,10-12H2,1-3H3,(H,19,23)(H,24,25) | | Definition date: | 2023-11-10 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | {4-[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetamido)methyl]-1H-1,2,3-triazol-1-yl}acetic acid |
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 | | YL9 | | Name: | 7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C24 H26 F N3 O6 S | | SMILES: | C[CH](N1C[CH](CCN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4 | | InChi: | InChI=1S/C24H26FN3O6S/c1-13(28-11-16(8-9-26)34-24(28)31)17-4-3-5-18-20(22(23(29)30)27-21(17)18)14-6-7-15(19(25)10-14)12-35(2,32)33/h3-7,10,13,16,27H,8-9,11-12,26H2,1-2H3,(H,29,30)/t13-,16?/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | SYU | | Name: | 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione | | Formula: | C13 H10 F6 N2 O S | | SMILES: | OCC1=CN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=S)N1 | | InChi: | InChI=1S/C13H10F6N2OS/c14-12(15,16)8-2-1-7(10(3-8)13(17,18)19)4-21-5-9(6-22)20-11(21)23/h1-3,5,22H,4,6H2,(H,20,23) | | Definition date: | 2022-12-20 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione |
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