 | | FUK | | Name: | 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone | | Formula: | C30 H42 F N5 O3 | | SMILES: | C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)[CH](O)c4ccc(F)cc4)[CH](CN1)CN5[CH](C)COC[CH]5C | | InChi: | InChI=1S/C30H42FN5O3/c1-19-13-34(25(12-32-19)14-35-20(2)16-39-17-21(35)3)15-27(37)36-18-30(4,5)29-26(36)10-23(11-33-29)28(38)22-6-8-24(31)9-7-22/h6-11,19-21,25,28,32,38H,12-18H2,1-5H3/t19-,20-,21-,25-,28+/m1/s1 | | Definition date: | 2018-07-30 | | Last modified: | 2018-08-17 | | Release date: | 2018-08-22 | | Identifier: | 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone |
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 | | GXY | | Name: | 4-bromo-2,5-dimethoxyaniline | | Formula: | C8 H10 Br N O2 | | SMILES: | COc1cc(Br)c(OC)cc1N | | InChi: | InChI=1S/C8H10BrNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3 | | Definition date: | 2018-06-04 | | Last modified: | 2018-08-17 | | Release date: | 2018-08-22 | | Identifier: | 4-bromo-2,5-dimethoxyaniline |
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 | | GYD | | Name: | N~1~-{5-[(3-{[3-(D-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-D-aspartamide | | Formula: | C29 H52 N10 O6 | | SMILES: | N(C(Cc1c(cc(O)cc1)O)=O)C(C(=O)NCCCCCNCCCNCCCNC(C(N)CCCNC(=N)N)=O)CC(=O)N | | InChi: | InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m1/s1 | | Definition date: | 2018-06-05 | | Last modified: | 2018-08-17 | | Release date: | 2018-08-22 | | Identifier: | N~1~-{5-[(3-{[3-(D-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-D-aspartamide |
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 | | GYY | | Name: | N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide | | Formula: | C22 H34 N4 O | | SMILES: | c1cc2ccccc2c(c1)CC(=O)NCCCNCCCCNCCCN | | InChi: | InChI=1S/C22H34N4O/c23-12-6-15-24-13-3-4-14-25-16-7-17-26-22(27)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,8-11,24-25H,3-4,6-7,12-18,23H2,(H,26,27) | | Definition date: | 2018-06-05 | | Last modified: | 2018-08-17 | | Release date: | 2018-08-22 | | Identifier: | N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide |
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 | | GZD | | Name: | N,N,N-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium | | Formula: | C19 H37 N2 | | SMILES: | C[N+](CCCCCNCC13CC2CC(C1)CC(C2)C3)(C)C | | InChi: | InChI=1S/C19H37N2/c1-21(2,3)8-6-4-5-7-20-15-19-12-16-9-17(13-19)11-18(10-16)14-19/h16-18,20H,4-15H2,1-3H3/q+1/t16-,17+,18-,19- | | Definition date: | 2018-06-06 | | Last modified: | 2018-08-17 | | Release date: | 2018-08-22 | | Identifier: | N,N,N-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium |
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 | | 85Y | | Name: | 2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate) | | Formula: | C21 H22 N3 O9 P | | SMILES: | C3(N(C=C(C(=O)NCc2cc1ccccc1cc2)C(N3)=O)C4OC(C(C4)O)COP(O)(=O)O)=O | | InChi: | InChI=1S/C21H22N3O9P/c25-16-8-18(33-17(16)11-32-34(29,30)31)24-10-15(20(27)23-21(24)28)19(26)22-9-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,10,16-18,25H,8-9,11H2,(H,22,26)(H,23,27,28)(H2,29,30,31)/t16-,17+,18+/m0/s1 | | Definition date: | 2017-01-06 | | Last modified: | 2018-08-13 | | Release date: | 2017-10-11 | | Identifier: | 2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate) |
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 | | TB8 | | Name: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide | | Formula: | C9 H8 Cl N O2 | | SMILES: | ONC(=O)C=Cc1ccccc1Cl | | InChi: | InChI=1S/C9H8ClNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-5+ | | Definition date: | 2018-06-27 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide |
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 | | 9T6 | | Name: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide | | Formula: | C18 H22 N4 O2 | | SMILES: | NC(=O)c1cnc2[nH]ccc2c1N[CH]3[CH]4CC5C[CH]3CC(O)(C5)C4 | | InChi: | InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9-,10-,11+,14-,18- | | Definition date: | 2018-07-25 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 4-[[(1~{S},3~{R})-5-oxidanyl-2-adamantyl]amino]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide |
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 | | 6LA | | Name: | methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside | | Formula: | C12 H19 N O8 | | SMILES: | CC(=O)NC2C(O)C1OC(C(O)=O)(C)OCC1OC2OC | | InChi: | InChI=1S/C12H19NO8/c1-5(14)13-7-8(15)9-6(20-10(7)18-3)4-19-12(2,21-9)11(16)17/h6-10,15H,4H2,1-3H3,(H,13,14)(H,16,17)/t6-,7+,8-,9-,10-,12+/m1/s1 | | Definition date: | 2016-04-28 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside |
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 | | BWH | | Name: | albicidin | | Formula: | C44 H38 N6 O12 | | SMILES: | COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[CH](CC#N)NC(=O)c4ccc(NC(=O)C(C)=Cc5ccc(O)cc5)cc4)cc3)c(OC)c2O)C(O)=O | | InChi: | InChI=1S/C44H38N6O12/c1-23(22-24-4-14-29(51)15-5-24)39(54)46-27-10-6-26(7-11-27)41(56)50-34(20-21-45)43(58)47-28-12-8-25(9-13-28)40(55)48-32-18-16-30(35(52)37(32)61-2)42(57)49-33-19-17-31(44(59)60)36(53)38(33)62-3/h4-19,22,34,51-53H,20H2,1-3H3,(H,46,54)(H,47,58)(H,48,55)(H,49,57)(H,50,56)(H,59,60)/b23-22+/t34-/m0/s1 | | Definition date: | 2017-10-25 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 4-[[4-[[4-[[(2~{S})-3-cyano-2-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]propanoyl]amino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid |
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 | | 8NL | | Name: | (2-methyl-3-phenyl-phenyl)methyl (1~{S})-3-[(~{E})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate | | Formula: | C23 H22 Cl F3 O2 | | SMILES: | Cc1c(COC(=O)[CH]2[CH](C=C(Cl)C(F)(F)F)C2(C)C)cccc1c3ccccc3 | | InChi: | InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/t18-,20+/m0/s1 | | Definition date: | 2017-08-11 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (2-methyl-3-phenyl-phenyl)methyl (1~{S})-3-[(~{E})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate |
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 | | DV3 | | Name: | 1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol | | Formula: | C5 H11 O5 P S | | SMILES: | O(P(S)(O)=O)CC1OCCC1O | | InChi: | InChI=1S/C5H11O5PS/c6-4-1-2-9-5(4)3-10-11(7,8)12/h4-6H,1-3H2,(H2,7,8,12)/t4-,5+/m0/s1 | | Definition date: | 2017-11-22 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol |
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 | | EMW | | Name: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide | | Formula: | C20 H26 N8 O2 | | SMILES: | COc1ccc(NC(=O)N2CCN([CH](C)C2)c3nc(N)nc4n(C)ncc34)c(C)c1 | | InChi: | InChI=1S/C20H26N8O2/c1-12-9-14(30-4)5-6-16(12)23-20(29)27-7-8-28(13(2)11-27)18-15-10-22-26(3)17(15)24-19(21)25-18/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,23,29)(H2,21,24,25)/t13-/m0/s1 | | Definition date: | 2018-03-29 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide |
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 | | EOG | | Name: | 1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C18 H14 Cl N5 O | | SMILES: | c31ccc(cc1n4c(c2c(cccc2)Cl)nnc4c(n3)C)C(NC)=O | | InChi: | InChI=1S/C18H14ClN5O/c1-10-16-22-23-17(12-5-3-4-6-13(12)19)24(16)15-9-11(18(25)20-2)7-8-14(15)21-10/h3-9H,1-2H3,(H,20,25) | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EOJ | | Name: | 1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C27 H26 Cl N5 O | | SMILES: | C1C3(CC2CC(CC1C2)C3)NC(c4cc7c(cc4)nc(c6nnc(c5ccccc5Cl)n67)C)=O | | InChi: | InChI=1S/C27H26ClN5O/c1-15-24-31-32-25(20-4-2-3-5-21(20)28)33(24)23-11-19(6-7-22(23)29-15)26(34)30-27-12-16-8-17(13-27)10-18(9-16)14-27/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,30,34)/t16-,17+,18-,27- | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EOS | | Name: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C22 H22 Cl N5 O2 | | SMILES: | c2c(ccc3nc(C)c4nnc(c1c(ccc(c1)OCC(C)C)Cl)n4c23)C(NC)=O | | InChi: | InChI=1S/C22H22ClN5O2/c1-12(2)11-30-15-6-7-17(23)16(10-15)21-27-26-20-13(3)25-18-8-5-14(22(29)24-4)9-19(18)28(20)21/h5-10,12H,11H2,1-4H3,(H,24,29) | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EOY | | Name: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C31 H34 Cl N5 O2 | | SMILES: | c2c(ccc3nc(C)c4nnc(c1c(ccc(c1)OCC(C)C)Cl)n4c23)C(NC76CC5CC(CC(C5)C6)C7)=O | | InChi: | InChI=1S/C31H34ClN5O2/c1-17(2)16-39-23-5-6-25(32)24(12-23)29-36-35-28-18(3)33-26-7-4-22(11-27(26)37(28)29)30(38)34-31-13-19-8-20(14-31)10-21(9-19)15-31/h4-7,11-12,17,19-21H,8-10,13-16H2,1-3H3,(H,34,38)/t19-,20+,21-,31- | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EP7 | | Name: | 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C22 H22 Cl N5 O2 | | SMILES: | c2c(ccc3nc(C)c4nnc(c1c(Cl)ccc(c1)OC)n4c23)C(NCC(C)C)=O | | InChi: | InChI=1S/C22H22ClN5O2/c1-12(2)11-24-22(29)14-5-8-18-19(9-14)28-20(13(3)25-18)26-27-21(28)16-10-15(30-4)6-7-17(16)23/h5-10,12H,11H2,1-4H3,(H,24,29) | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EPV | | Name: | 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C25 H28 Cl N5 O2 | | SMILES: | c1c(ccc2nc(C)c3nnc(n3c12)c4cc(ccc4Cl)OC(C)(C)C)C(NCC(C)C)=O | | InChi: | InChI=1S/C25H28ClN5O2/c1-14(2)13-27-24(32)16-7-10-20-21(11-16)31-22(15(3)28-20)29-30-23(31)18-12-17(8-9-19(18)26)33-25(4,5)6/h7-12,14H,13H2,1-6H3,(H,27,32) | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | F8W | | Name: | 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid | | Formula: | C34 H50 N6 O11 | | SMILES: | OC(=O)C(O)(CC(=O)NCCCCNCCCNC(=O)c1ccc(O)c(O)c1)CC(=O)NCCCCNCCCNC(=O)c2ccc(O)c(O)c2 | | InChi: | InChI=1S/C34H50N6O11/c41-25-9-7-23(19-27(25)43)31(47)39-17-5-13-35-11-1-3-15-37-29(45)21-34(51,33(49)50)22-30(46)38-16-4-2-12-36-14-6-18-40-32(48)24-8-10-26(42)28(44)20-24/h7-10,19-20,35-36,41-44,51H,1-6,11-18,21-22H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50) | | Definition date: | 2018-06-10 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid |
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 | | FF2 | | Name: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide | | Formula: | C9 H6 Cl N O2 S | | SMILES: | ONC(=O)c1sc2cccc(Cl)c2c1 | | InChi: | InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12) | | Definition date: | 2018-06-26 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide |
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 | | FG8 | | Name: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide | | Formula: | C15 H12 Cl N O2 S | | SMILES: | ONC(=O)C=Cc1ccccc1Sc2ccc(Cl)cc2 | | InChi: | InChI=1S/C15H12ClNO2S/c16-12-6-8-13(9-7-12)20-14-4-2-1-3-11(14)5-10-15(18)17-19/h1-10,19H,(H,17,18)/b10-5+ | | Definition date: | 2018-06-27 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide |
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 | | FGN | | Name: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide | | Formula: | C16 H13 Cl2 N O3 | | SMILES: | ONC(=O)C=Cc1ccccc1OCc2c(Cl)cccc2Cl | | InChi: | InChI=1S/C16H13Cl2NO3/c17-13-5-3-6-14(18)12(13)10-22-15-7-2-1-4-11(15)8-9-16(20)19-21/h1-9,21H,10H2,(H,19,20)/b9-8+ | | Definition date: | 2018-06-28 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide |
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 | | FHY | | Name: | (2S,4aR,6R,7S,8R,8aS)-7-(acetylamino)-6-({2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4,6-O-[(1S)-1-carboxylic acidethylidene]-2-deoxy-beta-D-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy}-2-methylhexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid | | Formula: | C20 H32 N2 O13 | | SMILES: | CC(=O)NC2C(OC)OC1COC(OC1C2OC3OC(CO)C(C(C3NC(C)=O)O)O)(C)C(O)=O | | InChi: | InChI=1S/C20H32N2O13/c1-7(24)21-11-14(27)13(26)9(5-23)32-18(11)34-16-12(22-8(2)25)17(30-4)33-10-6-31-20(3,19(28)29)35-15(10)16/h9-18,23,26-27H,5-6H2,1-4H3,(H,21,24)(H,22,25)(H,28,29)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18+,20+/m1/s1 | | Definition date: | 2018-04-02 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (2S,4aR,6R,7S,8R,8aS)-7-(acetylamino)-6-({2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4,6-O-[(1S)-1-carboxylic acidethylidene]-2-deoxy-beta-D-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy}-2-methylhexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid |
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 | | HDO | | Name: | 1-hydroxydodecan-4-one | | Formula: | C12 H24 O2 | | SMILES: | C(CCC(CCCCCCCC)=O)O | | InChi: | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h13H,2-11H2,1H3 | | Definition date: | 2017-09-05 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | 1-hydroxydodecan-4-one |
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