 | | T2H | | Name: | 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine | | Formula: | C10 H11 N3 O S | | SMILES: | CCOc1cccc(c1)c2sc(N)nn2 | | InChi: | InChI=1S/C10H11N3OS/c1-2-14-8-5-3-4-7(6-8)9-12-13-10(11)15-9/h3-6H,2H2,1H3,(H2,11,13) | | Definition date: | 2020-12-13 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine |
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 | | T2N | | Name: | 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane | | Formula: | Fe4 O2 S2 | | SMILES: | O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1 | | InChi: | InChI=1S/4Fe.2O.2S/q | | Definition date: | 2020-12-14 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane |
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 | | T3N | | Name: | 2-(4-acetamidophenoxy)ethanoic acid | | Formula: | C10 H11 N O4 | | SMILES: | CC(=O)Nc1ccc(OCC(O)=O)cc1 | | InChi: | InChI=1S/C10H11NO4/c1-7(12)11-8-2-4-9(5-3-8)15-6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14) | | Definition date: | 2020-12-14 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 2-(4-acetamidophenoxy)ethanoic acid |
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 | | T3T | | Name: | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine | | Formula: | C14 H14 N2 O2 | | SMILES: | C1Oc2ccc(CNCc3ccccn3)cc2O1 | | InChi: | InChI=1S/C14H14N2O2/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,15H,8-10H2 | | Definition date: | 2020-12-14 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine |
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 | | T52 | | Name: | N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide | | Formula: | C30 H39 N4 O8 S | | SMILES: | CCCOc1cc(OCCCC[NH3+])cc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)c1 | | InChi: | InChI=1S/C30H38N4O8S/c1-6-12-40-20-14-21(41-13-8-7-11-31)16-22(15-20)42-28-19-26-25(33(2)30(35)34(26)3)18-24(28)32-43(36,37)23-9-10-27(38-4)29(17-23)39-5/h9-10,14-19,32H,6-8,11-13,31H2,1-5H3/p+1 | | Synonyms: | ~{N}-[6-[3-(4-azanylbutoxy)-5-propoxy-phenoxy]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]-3,4-dimethoxy-benzenesulfonamide | | Definition date: | 2020-12-15 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-[3-[6-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]oxy-5-propoxy-phenoxy]butylazanium |
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 | | T7W | | Name: | (R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid | | Formula: | C20 H22 N6 O4 | | SMILES: | CC(C)(CC(O)=O)CC(=O)N1Cc2nc[nH]c2C[CH]1c3onc(n3)c4ccncc4 | | InChi: | InChI=1S/C20H22N6O4/c1-20(2,9-17(28)29)8-16(27)26-10-14-13(22-11-23-14)7-15(26)19-24-18(25-30-19)12-3-5-21-6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,22,23)(H,28,29)/t15-/m1/s1 | | Synonyms: | 3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid | | Definition date: | 2020-12-17 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid |
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 | | T82 | | Name: | (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium | | Formula: | C16 H15 Br Cl N3 O2 | | SMILES: | NC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2cccc(Cl)c2 | | InChi: | InChI=1S/C16H15BrClN3O2/c17-14-6-10(4-5-15(14)22)9-20-21-16(23)13(8-19)11-2-1-3-12(18)7-11/h1-7,9,13,22H,8,19H2,(H,21,23)/b20-9+/t13-/m1/s1 | | Synonyms: | (2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide | | Definition date: | 2020-12-17 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide |
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 | | T9B | | Name: | (2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide | | Formula: | C13 H17 N O3 | | SMILES: | COc1ccc(CNC(=O)[CH]2CCCO2)cc1 | | InChi: | InChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)/t12-/m0/s1 | | Synonyms: | (2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide |
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 | | T9K | | Name: | methyl 2-(4-cyanophenoxy)ethanoate | | Formula: | C10 H9 N O3 | | SMILES: | COC(=O)COc1ccc(cc1)C#N | | InChi: | InChI=1S/C10H9NO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3 | | Synonyms: | methyl 2-(4-cyanophenoxy)acetate | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | methyl 2-(4-cyanophenoxy)ethanoate |
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 | | T9Q | | Name: | N-Benzyl-2-methoxyacetamide | | Formula: | C10 H13 N O2 | | SMILES: | COCC(=O)NCc1ccccc1 | | InChi: | InChI=1S/C10H13NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12) | | Synonyms: | 2-methoxy-~{N}-(phenylmethyl)ethanamide | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 2-methoxy-~{N}-(phenylmethyl)ethanamide |
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 | | T9W | | Name: | 2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate | | Formula: | C12 H10 N O5 | | SMILES: | [O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O | | InChi: | InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)/p-1 | | Synonyms: | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoate |
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 | | T9Z | | Name: | 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol | | Formula: | C15 H18 N O2 | | SMILES: | Oc1c(C[NH+]2CCOCC2)ccc3ccccc13 | | InChi: | InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2/p+1 | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol |
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 | | TAH | | Name: | 2-(benzyloxy)benzohydrazide | | Formula: | C14 H14 N2 O2 | | SMILES: | NNC(=O)c1ccccc1OCc2ccccc2 | | InChi: | InChI=1S/C14H14N2O2/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17) | | Synonyms: | 2-phenylmethoxybenzohydrazide | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 2-phenylmethoxybenzohydrazide |
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 | | TB5 | | Name: | 4-(4-pyrrol-1-ylphenyl)morpholine | | Formula: | C14 H16 N2 O | | SMILES: | C1CN(CCO1)c2ccc(cc2)n3cccc3 | | InChi: | InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2 | | Synonyms: | 4-[4-(1H-pyrrol-1-yl)phenyl]morpholine | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-(4-pyrrol-1-ylphenyl)morpholine |
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 | | TE5 | | Name: | 4-methoxy-6-phenyl-pyrimidin-2-amine | | Formula: | C11 H11 N3 O | | SMILES: | COc1cc(nc(N)n1)c2ccccc2 | | InChi: | InChI=1S/C11H11N3O/c1-15-10-7-9(13-11(12)14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14) | | Synonyms: | 4-methoxy-6-phenylpyrimidin-2-ylamine | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-methoxy-6-phenyl-pyrimidin-2-amine |
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 | | TE8 | | Name: | (2~{R})-2-(4-phenylphenoxy)propanoic acid | | Formula: | C15 H14 O3 | | SMILES: | C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O | | InChi: | InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1 | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (2~{R})-2-(4-phenylphenoxy)propanoic acid |
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 | | TEH | | Name: | 4-(2-phenoxyethanoyl)piperazin-2-one | | Formula: | C12 H14 N2 O3 | | SMILES: | O=C1CN(CCN1)C(=O)COc2ccccc2 | | InChi: | InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15) | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-(2-phenoxyethanoyl)piperazin-2-one |
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 | | TEK | | Name: | ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide | | Formula: | C11 H13 N3 O | | SMILES: | CCn1c(NC(C)=O)nc2ccccc12 | | InChi: | InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15) | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide |
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 | | TEZ | | Name: | N-(2,1,3-Benzothiadiazol-5-yl)acetamide | | Formula: | C8 H7 N3 O S | | SMILES: | CC(=O)Nc1ccc2nsnc2c1 | | InChi: | InChI=1S/C8H7N3OS/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7/h2-4H,1H3,(H,9,12) | | Synonyms: | ~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide |
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 | | TKE | | Name: | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea | | Formula: | C15 H16 I N3 O2 S2 | | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=S)Nc2ccc(I)cc2)cc1 | | InChi: | InChI=1S/C15H16IN3O2S2/c16-12-3-5-13(6-4-12)19-15(22)18-10-9-11-1-7-14(8-2-11)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22) | | Definition date: | 2021-01-04 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea |
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 | | TKQ | | Name: | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea | | Formula: | C15 H16 I N3 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(I)cc2)cc1 | | InChi: | InChI=1S/C15H16IN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) | | Definition date: | 2021-01-07 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea |
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 | | 2JI | | Name: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid | | Formula: | C13 H15 N O2 | | SMILES: | O=C(O)Cc1c2cc(ccc2[NH]c1C)CC | | InChi: | InChI=1S/C13H15NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8(2)14-12/h4-6,14H,3,7H2,1-2H3,(H,15,16) | | Definition date: | 2021-06-30 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid |
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 | | 2LZ | | Name: | (5-fluoro-1H-indol-3-yl)acetic acid | | Formula: | C10 H8 F N O2 | | SMILES: | O=C(O)Cc1c[NH]c2ccc(F)cc21 | | InChi: | InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14) | | Definition date: | 2021-06-30 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (5-fluoro-1H-indol-3-yl)acetic acid |
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 | | GIT | | Name: | [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate | | Formula: | C20 H20 N4 O3 | | SMILES: | O=C(C)Cn1nnc(c2ccccc2)c1COC(=O)NCc1ccccc1 | | InChi: | InChI=1S/C20H20N4O3/c1-15(25)13-24-18(19(22-23-24)17-10-6-3-7-11-17)14-27-20(26)21-12-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,21,26) | | Definition date: | 2022-01-01 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate |
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 | | 5N0 | | Name: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid | | Formula: | C64 H75 N23 O12 | | SMILES: | O=C(O)c1cccc(c1)C(=O)NCCCN(C)CCCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1nc(NC(=O)C(N)CCNC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C | | InChi: | InChI=1S/C64H75N23O12/c1-79(20-11-16-67-54(88)36-13-10-14-37(23-36)64(98)99)21-12-17-68-56(90)44-24-38(29-81(44)3)70-58(92)46-26-40(31-83(46)5)72-60(94)48-28-41(32-85(48)7)73-62(96)52-75-49(34-86(52)8)77-55(89)43(65)15-18-69-57(91)45-25-39(30-82(45)4)71-59(93)47-27-42(33-84(47)6)74-63(97)53-76-50(35-87(53)9)78-61(95)51-66-19-22-80(51)2/h10,13-14,19,22-35,43H,11-12,15-18,20-21,65H2,1-9H3,(H,67,88)(H,68,90)(H,69,91)(H,70,92)(H,71,93)(H,72,94)(H,73,96)(H,74,97)(H,77,89)(H,78,95)(H,98,99)/t43-/m1/s1 | | Definition date: | 2021-07-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid |
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