 | | 7XZ | | Name: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid | | Formula: | C18 H19 N O8 | | SMILES: | COc1ccc2C(=C(CCC(=O)N(CC(O)=O)CC(O)=O)C(=O)Oc2c1)C | | InChi: | InChI=1S/C18H19NO8/c1-10-12-4-3-11(26-2)7-14(12)27-18(25)13(10)5-6-15(20)19(8-16(21)22)9-17(23)24/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24) | | Synonyms: | ZINC2104681 | | Definition date: | 2023-03-15 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid |
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 | | X0O | | Name: | [[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C10 H18 N3 O14 P3 | | SMILES: | CN1C=C([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C(=NC1=O)N | | InChi: | InChI=1S/C10H18N3O14P3/c1-13-2-4(9(11)12-10(13)16)8-7(15)6(14)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-8,14-15H,3H2,1H3,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1 | | Definition date: | 2023-05-25 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | OQU | | Name: | 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol | | Formula: | C10 H6 Br F3 N4 S | | SMILES: | FC(F)(F)c1nnc(S)n1N=Cc2cccc(Br)c2 | | InChi: | InChI=1S/C10H6BrF3N4S/c11-7-3-1-2-6(4-7)5-15-18-8(10(12,13)14)16-17-9(18)19/h1-5H,(H,17,19)/b15-5+ | | Definition date: | 2022-09-18 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol |
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 | | UF5 | | Name: | 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide | | Formula: | C8 H9 Cl N2 O2 S2 | | SMILES: | Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3 | | InChi: | InChI=1S/C8H9ClN2O2S2/c9-7-3-6-8(14-7)15(12,13)10-4-11(6)5-1-2-5/h3,5,10H,1-2,4H2 | | Definition date: | 2023-09-05 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide |
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 | | ORL | | Name: | 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | | Formula: | C17 H11 F3 N4 O2 S | | SMILES: | OC(=O)c1cccc(C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F)c1 | | InChi: | InChI=1S/C17H11F3N4O2S/c18-17(19,20)13-6-4-11(5-7-13)14-22-23-16(27)24(14)21-9-10-2-1-3-12(8-10)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+ | | Definition date: | 2022-09-18 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
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 | | V9U | | Name: | 3-azanyl-6-chloranyl-isoindol-1-one | | Formula: | C8 H5 Cl N2 O | | SMILES: | NC1=NC(=O)c2cc(Cl)ccc12 | | InChi: | InChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12) | | Definition date: | 2023-09-11 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 3-azanyl-6-chloranyl-isoindol-1-one |
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 | | N59 | | Name: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid | | Formula: | C23 H21 Cl F N3 O4 S | | SMILES: | OC(=O)c1ccc(N2CCN(CC2)c3cccc(Cl)c3)c(N[S](=O)(=O)c4cccc(F)c4)c1 | | InChi: | InChI=1S/C23H21ClFN3O4S/c24-17-3-1-5-19(14-17)27-9-11-28(12-10-27)22-8-7-16(23(29)30)13-21(22)26-33(31,32)20-6-2-4-18(25)15-20/h1-8,13-15,26H,9-12H2,(H,29,30) | | Definition date: | 2023-01-11 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid |
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 | | N5X | | Name: | 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid | | Formula: | C26 H26 Cl N3 O3 | | SMILES: | Cc1ccc(C)c(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Cl)cc4)C(O)=O | | InChi: | InChI=1S/C26H26ClN3O3/c1-17-3-4-18(2)24(15-17)30-13-11-29(12-14-30)23-10-7-20(26(32)33)16-22(23)28-25(31)19-5-8-21(27)9-6-19/h3-10,15-16H,11-14H2,1-2H3,(H,28,31)(H,32,33) | | Definition date: | 2023-01-11 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid |
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 | | W6B | | Name: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid | | Formula: | C19 H13 Cl F N O2 | | SMILES: | OC(=O)c1cc(F)ccc1Nc2cccc(Cl)c2c3ccccc3 | | InChi: | InChI=1S/C19H13ClFNO2/c20-15-7-4-8-17(18(15)12-5-2-1-3-6-12)22-16-10-9-13(21)11-14(16)19(23)24/h1-11,22H,(H,23,24) | | Definition date: | 2023-09-20 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid |
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 | | W6K | | Name: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid | | Formula: | C20 H16 Cl N O2 | | SMILES: | Cc1cccc(Nc2cccc(Cl)c2c3ccccc3)c1C(O)=O | | InChi: | InChI=1S/C20H16ClNO2/c1-13-7-5-11-16(18(13)20(23)24)22-17-12-6-10-15(21)19(17)14-8-3-2-4-9-14/h2-12,22H,1H3,(H,23,24) | | Definition date: | 2023-09-20 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid |
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 | | SVO | | Name: | 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide | | Formula: | C8 H11 N3 O4 S | | SMILES: | CN(C)c1ccc(cc1)[S](=O)(=O)N[N+]([O-])=O | | InChi: | InChI=1S/C8H11N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6,9H,1-2H3 | | Definition date: | 2022-12-19 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide |
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 | | SY0 | | Name: | (2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide | | Formula: | C15 H21 N5 O3 | | SMILES: | CCNC(=O)[CH](C)NC(=O)Cn1cc(cn1)c2c(C)onc2C | | InChi: | InChI=1S/C15H21N5O3/c1-5-16-15(22)10(3)18-13(21)8-20-7-12(6-17-20)14-9(2)19-23-11(14)4/h6-7,10H,5,8H2,1-4H3,(H,16,22)(H,18,21)/t10-/m0/s1 | | Definition date: | 2022-12-20 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide |
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 | | Y4O | | Name: | 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | | Formula: | C29 H31 N7 O2 | | SMILES: | CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)c(C)c2 | | InChi: | InChI=1S/C29H31N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-5,7-9,11-15,17-19H,6,10,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35) | | Definition date: | 2023-11-20 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide |
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 | | Y7H | | Name: | 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one | | Formula: | C18 H22 N4 O | | SMILES: | O=C1c2cccc3[NH]nc(CCN1C1CC4CCN(CC4)C1)c23 | | InChi: | InChI=1S/C18H22N4O/c23-18-14-2-1-3-15-17(14)16(20-19-15)6-9-22(18)13-10-12-4-7-21(11-13)8-5-12/h1-3,12-13H,4-11H2,(H,19,20)/t13-/m0/s1 | | Definition date: | 2023-01-10 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one |
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 | | Y82 | | Name: | 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one | | Formula: | C17 H20 N4 O | | SMILES: | O=C1c2cccc3[NH]nc(CCN1C1CN4CCC1CC4)c23 | | InChi: | InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1 | | Definition date: | 2023-01-11 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one |
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 | | UCH | | Name: | 1-pyridin-4-ylpiperidine-4-carboxylic acid | | Formula: | C11 H14 N2 O2 | | SMILES: | OC(=O)C1CCN(CC1)c2ccncc2 | | InChi: | InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15) | | Definition date: | 2023-05-26 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 1-pyridin-4-ylpiperidine-4-carboxylic acid |
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 | | ZVM | | Name: | (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione | | Formula: | C22 H21 N3 O2 | | SMILES: | O=C1C2C(=O)c3ccccc3N(C)C2=NC(C2CCC2)N1c1ccccc1 | | InChi: | InChI=1S/C22H21N3O2/c1-24-17-13-6-5-12-16(17)19(26)18-21(24)23-20(14-8-7-9-14)25(22(18)27)15-10-3-2-4-11-15/h2-6,10-14,18,20H,7-9H2,1H3/t18?,20-/m0/s1 | | Definition date: | 2023-04-06 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione |
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 | | VLK | | Name: | (2R)-2-[[methanoyl(oxidanyl)amino]methyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide | | Formula: | C19 H35 N3 O4 S | | SMILES: | CCCCC[CH](CN(O)C=O)C(=O)N[CH](C(C)C)C(=O)N1CCCC1CS | | InChi: | InChI=1S/C19H35N3O4S/c1-4-5-6-8-15(11-21(26)13-23)18(24)20-17(14(2)3)19(25)22-10-7-9-16(22)12-27/h13-17,26-27H,4-12H2,1-3H3,(H,20,24)/t15-,16?,17+/m1/s1 | | Definition date: | 2023-03-15 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (2~{R})-2-[[methanoyl(oxidanyl)amino]methyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide |
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 | | VMK | | Name: | 2-[4-(3-fluorophenyl)phenyl]ethanamine | | Formula: | C14 H14 F N | | SMILES: | NCCc1ccc(cc1)c2cccc(F)c2 | | InChi: | InChI=1S/C14H14FN/c15-14-3-1-2-13(10-14)12-6-4-11(5-7-12)8-9-16/h1-7,10H,8-9,16H2 | | Definition date: | 2023-09-14 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-[4-(3-fluorophenyl)phenyl]ethanamine |
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 | | VMT | | Name: | 2-(4-bromophenyl)ethanamine | | Formula: | C8 H10 Br N | | SMILES: | NCCc1ccc(Br)cc1 | | InChi: | InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2 | | Synonyms: | 4-Bromophenethylamine | | Definition date: | 2023-09-14 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-(4-bromophenyl)ethanamine |
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 | | X0F | | Name: | 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate) | | Formula: | C10 H16 N5 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)NC(=O)N=C32)C(O)C1O | | InChi: | InChI=1S/C10H16N5O14P3/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2023-05-25 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate) |
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 | | OQK | | Name: | 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | | Formula: | C17 H11 F3 N4 O2 S | | SMILES: | OC(=O)c1ccccc1C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F | | InChi: | InChI=1S/C17H11F3N4O2S/c18-17(19,20)12-7-5-10(6-8-12)14-22-23-16(27)24(14)21-9-11-3-1-2-4-13(11)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+ | | Definition date: | 2022-09-18 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
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 | | R7R | | Name: | sulfoquinovose | | Formula: | C6 H12 O8 S | | SMILES: | O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | | Synonyms: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid | | Definition date: | 2023-08-30 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid |
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 | | SG0 | | Name: | 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide | | Formula: | C13 H17 N3 O2 S | | SMILES: | CC(C)Oc1ccc([CH](N)O)c2cc(sc12)C(N)=N | | InChi: | InChI=1S/C13H17N3O2S/c1-6(2)18-9-4-3-7(13(16)17)8-5-10(12(14)15)19-11(8)9/h3-6,13,17H,16H2,1-2H3,(H3,14,15)/t13-/m1/s1 | | Definition date: | 2022-12-15 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
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 | | SIT | | Name: | De-acetylated Fusicoccin | | Formula: | C34 H54 O11 | | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)COC(C)=O | | InChi: | InChI=1S/C34H54O11/c1-9-33(5,6)43-16-24-28(38)29(39)30(40)32(44-24)45-31-26-22(17(2)14-42-19(4)35)12-25(36)34(26,7)13-23-20(15-41-8)10-11-21(23)18(3)27(31)37/h9,13,17-18,20-21,24-25,27-32,36-40H,1,10-12,14-16H2,2-8H3/b23-13-/t17-,18-,20-,21+,24-,25+,27-,28-,29+,30-,31-,32-,34+/m1/s1 | | Synonyms: | [(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate | | Definition date: | 2022-12-15 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | [(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate |
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