| MHK | Name: | naphthalene-1-sulfonamide | Formula: | C10 H9 N O2 S | SMILES: | N[S](=O)(=O)c1cccc2ccccc12 | InChi: | InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13) | Definition date: | 2019-10-15 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | naphthalene-1-sulfonamide |
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| S7V | Name: | [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol | Formula: | C12 H17 N O2 | SMILES: | c1(ccccc1)CN2CCOC(CO)C2 | InChi: | InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1 | Definition date: | 2020-03-05 | Last modified: | 2020-10-09 | Release date: | 2020-04-15 | Identifier: | [(2R)-4-benzylmorpholin-2-yl]methanol |
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| MJ2 | Name: | 3,5-dimethylbenzenesulfonamide | Formula: | C8 H11 N O2 S | SMILES: | Cc1cc(C)cc(c1)[S](N)(=O)=O | InChi: | InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11) | Definition date: | 2019-10-15 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 3,5-dimethylbenzenesulfonamide |
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| MJB | Name: | 2-piperazin-1-ylethanol | Formula: | C6 H14 N2 O | SMILES: | OCCN1CCNCC1 | InChi: | InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2 | Definition date: | 2019-10-15 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-piperazin-1-ylethanol |
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| MJT | Name: | anthracene-9-sulfonamide | Formula: | C14 H11 N O2 S | SMILES: | N[S](=O)(=O)c1c2ccccc2cc3ccccc13 | InChi: | InChI=1S/C14H11NO2S/c15-18(16,17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H2,15,16,17) | Definition date: | 2019-10-16 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | anthracene-9-sulfonamide |
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| Q9M | Name: | 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide | Formula: | C23 H21 N7 O3 S2 | SMILES: | C3(CN(c2sc(NC(Cc1ccccc1)=O)nn2)C3)Oc5nnc(NC(=O)Cc4ccccc4)s5 | InChi: | InChI=1S/C23H21N7O3S2/c31-18(11-15-7-3-1-4-8-15)24-20-26-28-22(34-20)30-13-17(14-30)33-23-29-27-21(35-23)25-19(32)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,24,26,31)(H,25,27,32) | Definition date: | 2019-10-08 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide |
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| MKQ | Name: | 3,5-diphenylbenzenesulfonamide | Formula: | C18 H15 N O2 S | SMILES: | N[S](=O)(=O)c1cc(cc(c1)c2ccccc2)c3ccccc3 | InChi: | InChI=1S/C18H15NO2S/c19-22(20,21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H,(H2,19,20,21) | Definition date: | 2019-10-17 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 3,5-diphenylbenzenesulfonamide |
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| QA4 | Name: | 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | Formula: | C19 H25 N7 O3 S2 | SMILES: | N(C(CC1CC1)=O)c5nnc(OC4CCN(c2sc(nn2)NC(CC3CC3)=O)CC4)s5 | InChi: | InChI=1S/C19H25N7O3S2/c27-14(9-11-1-2-11)20-16-22-24-18(30-16)26-7-5-13(6-8-26)29-19-25-23-17(31-19)21-15(28)10-12-3-4-12/h11-13H,1-10H2,(H,20,22,27)(H,21,23,28) | Definition date: | 2019-10-09 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide |
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| QAA | Name: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide | Formula: | C29 H29 N7 O3 | SMILES: | c1cc(nnc1NC(Cc2ccccc2)=O)OC5CCN(c3nnc(cc3)NC(=O)Cc4ccccc4)CC5 | InChi: | InChI=1S/C29H29N7O3/c37-27(19-21-7-3-1-4-8-21)30-24-11-13-26(34-32-24)36-17-15-23(16-18-36)39-29-14-12-25(33-35-29)31-28(38)20-22-9-5-2-6-10-22/h1-14,23H,15-20H2,(H,30,32,37)(H,31,33,38) | Definition date: | 2019-10-09 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide |
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| QAJ | Name: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide | Formula: | C23 H24 N10 O2 S2 | SMILES: | N1(CCC(CC1)Nc3nnc(NC(Cc2cccnc2)=O)s3)c4sc(nn4)NC(=O)Cc5cccnc5 | InChi: | InChI=1S/C23H24N10O2S2/c34-18(11-15-3-1-7-24-13-15)27-21-30-29-20(36-21)26-17-5-9-33(10-6-17)23-32-31-22(37-23)28-19(35)12-16-4-2-8-25-14-16/h1-4,7-8,13-14,17H,5-6,9-12H2,(H,26,29)(H,27,30,34)(H,28,31,35) | Definition date: | 2019-10-10 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide |
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| QAM | Name: | N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide | Formula: | C17 H19 N7 O2 S2 | SMILES: | N(c3sc(OC1CCN(CC1)c2sc(N)nn2)nn3)C(Cc4ccccc4)=O | InChi: | InChI=1S/C17H19N7O2S2/c18-14-20-22-16(27-14)24-8-6-12(7-9-24)26-17-23-21-15(28-17)19-13(25)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,18,20)(H,19,21,25) | Definition date: | 2019-10-10 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide |
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| LTV | Name: | 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate | Formula: | C46 H90 O5 | SMILES: | O=C(OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C46H90O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h44,47H,3-43H2,1-2H3/t44-/m0/s1 | Definition date: | 2019-03-13 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate |
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| V9D | Name: | N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide | Formula: | C8 H8 N2 O4 | SMILES: | C(=O)(NO)c1cccc(c1)C(NO)=O | InChi: | InChI=1S/C8H8N2O4/c11-7(9-13)5-2-1-3-6(4-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12) | Definition date: | 2020-07-20 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide |
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| V9Y | Name: | N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide | Formula: | C6 H6 N2 O5 | SMILES: | C(=O)(NO)c1ccc(o1)C(=O)NO | InChi: | InChI=1S/C6H6N2O5/c9-5(7-11)3-1-2-4(13-3)6(10)8-12/h1-2,11-12H,(H,7,9)(H,8,10) | Definition date: | 2020-07-21 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide |
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| VD8 | Name: | 3,5-di~{tert}-butylbenzenesulfonamide | Formula: | C14 H23 N O2 S | SMILES: | CC(C)(C)c1cc(cc(c1)[S](N)(=O)=O)C(C)(C)C | InChi: | InChI=1S/C14H23NO2S/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)18(15,16)17/h7-9H,1-6H3,(H2,15,16,17) | Definition date: | 2019-10-17 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 3,5-di~{tert}-butylbenzenesulfonamide |
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| LZW | Name: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide | Formula: | C18 H18 N2 O3 S | SMILES: | N[S](=O)(=O)c1ccc2N[CH](C3=C(CCC3)c2c1)c4ccc(O)cc4 | InChi: | InChI=1S/C18H18N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,18,20-21H,1-3H2,(H2,19,22,23)/t18-/m0/s1 | Definition date: | 2019-10-01 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide |
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| MUE | Name: | naphthalene-2-sulfonamide | Formula: | C10 H9 N O2 S | SMILES: | N[S](=O)(=O)c1ccc2ccccc2c1 | InChi: | InChI=1S/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13) | Definition date: | 2019-10-24 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | naphthalene-2-sulfonamide |
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| M0K | Name: | 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid | Formula: | C13 H14 F N O4 | SMILES: | OC(=O)COc1cc(F)ccc1C(=O)NCC2CC2 | InChi: | InChI=1S/C13H14FNO4/c14-9-3-4-10(11(5-9)19-7-12(16)17)13(18)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,18)(H,16,17) | Definition date: | 2019-10-01 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid |
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| OHZ | Name: | 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea | Formula: | C16 H14 Cl F3 N2 O3 | SMILES: | OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2 | InChi: | InChI=1S/C16H14ClF3N2O3/c17-11-7-12(9-13(8-11)25-16(18,19)20)21-15(24)22-14-4-2-1-3-10(14)5-6-23/h1-4,7-9,23H,5-6H2,(H2,21,22,24) | Synonyms: | 1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea | Definition date: | 2020-03-13 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea |
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| HL9 | Name: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide | Formula: | C20 H29 N5 O2 S | SMILES: | O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NC3CCN(CC3)c4ccncc4 | InChi: | InChI=1S/C20H29N5O2S/c26-18(4-2-1-3-17-19-16(13-28-17)23-20(27)24-19)22-14-7-11-25(12-8-14)15-5-9-21-10-6-15/h5-6,9-10,14,16-17,19H,1-4,7-8,11-13H2,(H,22,26)(H2,23,24,27)/t16-,17-,19-/m0/s1 | Definition date: | 2019-10-04 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide |
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| 7GD | Name: | 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C12 H11 N5 | SMILES: | c1c(cccc1)Cc2cc(nc3c2nnn3)N | InChi: | InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17) | Definition date: | 2016-10-19 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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| E4L | Name: | ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | Formula: | C18 H26 O5 | SMILES: | CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC | InChi: | InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3 | Synonyms: | ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate | Definition date: | 2019-10-10 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate |
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| ED3 | Name: | 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione | Formula: | C22 H19 Cl N4 O4 | SMILES: | Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4Cl | InChi: | InChI=1S/C22H19ClN4O4/c1-11-13(19(28)18-12(2)24-26(4)20(18)29)9-10-16-17(11)21(30)27(22(31)25(16)3)15-8-6-5-7-14(15)23/h5-10,29H,1-4H3 | Definition date: | 2019-12-11 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione |
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| F56 | Name: | 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one | Formula: | C15 H21 N O3 | SMILES: | CC=CC[CH](C)C[CH](C)C(=O)C1=C(O)C=CNC1=O | InChi: | InChI=1S/C15H21NO3/c1-4-5-6-10(2)9-11(3)14(18)13-12(17)7-8-16-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,17,19)/b5-4+/t10-,11-/m0/s1 | Definition date: | 2020-03-31 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 3-[(~{E},2~{S},4~{S})-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1~{H}-pyridin-2-one |
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| F5F | Name: | 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one | Formula: | C15 H21 N O2 | SMILES: | C[CH]1C[CH](C)[CH]([CH](C1)C=C)C2=C(O)C=CNC2=O | InChi: | InChI=1S/C15H21NO2/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16-15(14)18/h4-6,9-11,13H,1,7-8H2,2-3H3,(H2,16,17,18)/t9-,10+,11-,13-/m1/s1 | Definition date: | 2020-03-31 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 3-[(1~{R},2~{S},4~{R},6~{S})-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1~{H}-pyridin-2-one |
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