| WLY | Name: | 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide | Formula: | C14 H19 N O2 | SMILES: | C(NC(Cc1ccc(cc1)C)=O)C2CCCO2 | InChi: | InChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(16)15-10-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)/t13-/m0/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide |
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| WMD | Name: | 1-[(1R)-1-(2-fluorophenyl)ethyl]piperazine | Formula: | C12 H17 F N2 | SMILES: | c2c(C(C)N1CCNCC1)c(ccc2)F | InChi: | InChI=1S/C12H17FN2/c1-10(15-8-6-14-7-9-15)11-4-2-3-5-12(11)13/h2-5,10,14H,6-9H2,1H3/t10-/m1/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 1-[(1R)-1-(2-fluorophenyl)ethyl]piperazine |
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| WMG | Name: | 1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine | Formula: | C12 H17 F N2 | SMILES: | c2c(C(C)N1CCNCC1)c(ccc2)F | InChi: | InChI=1S/C12H17FN2/c1-10(15-8-6-14-7-9-15)11-4-2-3-5-12(11)13/h2-5,10,14H,6-9H2,1H3/t10-/m0/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine |
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| WMS | Name: | 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine | Formula: | C10 H10 F N3 S | SMILES: | Cc1ncc(s1)CNc2cc(cnc2)F | InChi: | InChI=1S/C10H10FN3S/c1-7-13-5-10(15-7)6-14-9-2-8(11)3-12-4-9/h2-5,14H,6H2,1H3 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine |
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| WMV | Name: | N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide | Formula: | C14 H22 N2 O2 | SMILES: | C2(CCNC(c1c(C)noc1C)=O)CCCCC2 | InChi: | InChI=1S/C14H22N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,15,17) | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide |
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| WMY | Name: | 3-chloro-N-(1,2-oxazol-3-yl)benzamide | Formula: | C10 H7 Cl N2 O2 | SMILES: | c1onc(c1)NC(c2cccc(c2)Cl)=O | InChi: | InChI=1S/C10H7ClN2O2/c11-8-3-1-2-7(6-8)10(14)12-9-4-5-15-13-9/h1-6H,(H,12,13,14) | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 3-chloro-N-(1,2-oxazol-3-yl)benzamide |
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| WN1 | Name: | N-(2-fluorophenyl)-3-methoxybenzamide | Formula: | C14 H12 F N O2 | SMILES: | c1cccc(c1NC(c2cccc(c2)OC)=O)F | InChi: | InChI=1S/C14H12FNO2/c1-18-11-6-4-5-10(9-11)14(17)16-13-8-3-2-7-12(13)15/h2-9H,1H3,(H,16,17) | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | N-(2-fluorophenyl)-3-methoxybenzamide |
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| WN4 | Name: | N-(6-methylpyridin-2-yl)-L-prolinamide | Formula: | C11 H15 N3 O | SMILES: | C1(CCCN1)C(=O)Nc2cccc(C)n2 | InChi: | InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m0/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | N-(6-methylpyridin-2-yl)-L-prolinamide |
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| WN7 | Name: | 5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine | Formula: | C12 H13 N3 | SMILES: | c2c(CNc1cc(C)cnc1)ccnc2 | InChi: | InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine |
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| WNA | Name: | 1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine | Formula: | C10 H13 N5 | SMILES: | c2(NCc1c(C)cccc1)nnnn2C | InChi: | InChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14) | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine |
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| WNG | Name: | N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine | Formula: | C15 H13 N3 | SMILES: | c2(nc1c(cccc1)n2)N[C@H]=Cc3ccccc3 | InChi: | InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-11H,(H2,16,17,18)/b11-10- | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine |
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| WNM | Name: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine | Formula: | C10 H14 N2 O2 S | SMILES: | c2(S(N1CCC(N)C1)(=O)=O)ccccc2 | InChi: | InChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine |
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| WNP | Name: | N-(3-chlorophenyl)-2,2,2-trifluoroacetamide | Formula: | C8 H5 Cl F3 N O | SMILES: | c1cc(NC(C(F)(F)F)=O)cc(c1)Cl | InChi: | InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14) | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | N-(3-chlorophenyl)-2,2,2-trifluoroacetamide |
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| WNY | Name: | 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one | Formula: | C12 H15 Cl N2 O | SMILES: | c2(N1CCN(C(C)=O)CC1)ccc(cc2)Cl | InChi: | InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one |
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| WO1 | Name: | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate | Formula: | C11 H15 N O3 | SMILES: | c2cc(C(=O)OC1CCCN(C)C1)oc2 | InChi: | InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate |
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| WOA | Name: | (3S)-3-(methylamino)-1-phenylpiperidin-2-one | Formula: | C12 H16 N2 O | SMILES: | c2(N1CCCC(NC)C1=O)ccccc2 | InChi: | InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (3S)-3-(methylamino)-1-phenylpiperidin-2-one |
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| WQD | Name: | UDP-4-deoxy-4-formamido-beta-L-arabinopyranose | Formula: | C15 H23 N3 O16 P2 | SMILES: | C(OP(OP(O)(=O)OC1C(O)C(O)C(NC=O)CO1)(=O)O)C3C(C(O)C(N2C=CC(NC2=O)=O)O3)O | InChi: | InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1 | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S})-5-formamido-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | Definition date: | 2020-11-04 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S)-5-(formylamino)-3,4-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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| WSS | Name: | tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium | Formula: | C44 H85 N O8 P | SMILES: | C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O | InChi: | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1 | Definition date: | 2020-11-04 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (4R,7R,18E)-4-hydroxy-N,N,N-trimethyl-7-{[(9Z)-octadec-9-enoyl]oxy}-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium |
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| UA7 | Name: | Brodifacoum | Formula: | C31 H23 Br O3 | SMILES: | C4C(c2ccc(c1ccc(cc1)Br)cc2)Cc3ccccc3C4C=5C(Oc6c(C=5O)cccc6)=O | InChi: | InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23-,27-/m1/s1 | Synonyms: | 3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one | Definition date: | 2020-05-06 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one |
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| UAJ | Name: | Chlorophacinone | Formula: | C23 H15 Cl O3 | SMILES: | c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4 | InChi: | InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1 | Synonyms: | 2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione | Definition date: | 2020-05-06 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione |
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| UAV | Name: | (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione | Formula: | C31 H48 O3 | SMILES: | c12c(cccc1)C(=O)C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C2=O)C)O | InChi: | InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23?,24-,26-,31+/m0/s1 | Definition date: | 2020-05-06 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione |
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| RUZ | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate | Formula: | C16 H23 N5 O9 S | SMILES: | N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23 | InChi: | InChI=1S/C16H23N5O9S/c17-8-1-7(3-22)2-10-12(8)21(6-19-10)16-14(25)13(24)11(30-16)5-29-31(27,28)20-15(26)9(18)4-23/h1-2,6,9,11,13-14,16,22-25H,3-5,17-18H2,(H,20,26)/t9-,11+,13+,14+,16+/m0/s1 | Synonyms: | SerS7HMDDA | Definition date: | 2020-10-21 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate |
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| VZM | Name: | N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea | Formula: | C11 H11 N3 O2 S | SMILES: | N(c1cccs1)C(=O)Nc2cnc(cc2)OC | InChi: | InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15) | Definition date: | 2020-09-24 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea |
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| VZS | Name: | N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea | Formula: | C11 H13 N5 O2 | SMILES: | N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC | InChi: | InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17) | Definition date: | 2020-09-24 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea |
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| T4T | Name: | 2-tetradecylsulfanylethanoic acid | Formula: | C16 H32 O2 S | SMILES: | CCCCCCCCCCCCCCSCC(O)=O | InChi: | InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18) | Definition date: | 2018-07-10 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-tetradecylsulfanylethanoic acid |
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