| M9Z | Name: | ~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide | Formula: | C24 H28 N8 O4 S | SMILES: | CN(C1=C(NCCCn2cc(CN)nn2)N(Cc3ccccc3)C(=O)NC1=O)[S](=O)(=O)c4ccccc4 | InChi: | InChI=1S/C24H28N8O4S/c1-30(37(35,36)20-11-6-3-7-12-20)21-22(26-13-8-14-31-17-19(15-25)28-29-31)32(24(34)27-23(21)33)16-18-9-4-2-5-10-18/h2-7,9-12,17,26H,8,13-16,25H2,1H3,(H,27,33,34) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide |
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| MBK | Name: | ~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide | Formula: | C22 H26 Br N5 O4 S | SMILES: | CN(C1=C(NCCCCN)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3 | InChi: | InChI=1S/C22H26BrN5O4S/c1-27(33(31,32)18-7-3-2-4-8-18)19-20(25-14-6-5-13-24)28(22(30)26-21(19)29)15-16-9-11-17(23)12-10-16/h2-4,7-12,25H,5-6,13-15,24H2,1H3,(H,26,29,30) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide |
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| MKN | Name: | 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole | Formula: | C11 H8 N2 S2 | SMILES: | [nH]1ccc(n1)c2sc(cc2)c3sccc3 | InChi: | InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13) | Definition date: | 2019-10-17 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole |
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| N0E | Name: | ~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide | Formula: | C15 H15 N O2 | SMILES: | Oc1ccc(NC(=O)CCc2ccccc2)cc1 | InChi: | InChI=1S/C15H15NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10,17H,6,11H2,(H,16,18) | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide |
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| N0H | Name: | ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide | Formula: | C14 H13 N O3 | SMILES: | Oc1ccccc1NC(=O)COc2ccccc2 | InChi: | InChI=1S/C14H13NO3/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17) | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide |
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| N0K | Name: | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O5 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-11-7-10-18-17(21)9-8-12-23(18)33(31,32)26-14-6-4-3-5-13-25-20-15-22(29)24(30)19(20)16-28/h7-12,19-20,22,24-26,28-30H,3-6,13-16H2,1-2H3/t19-,20-,22+,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
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| N0N | Name: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O6 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
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| N0Q | Name: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O5 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20+,22+,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
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| N0T | Name: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol | Formula: | C14 H29 N O4 | SMILES: | CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO | InChi: | InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol |
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| N0W | Name: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O5 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20-,22+,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
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| N1E | Name: | methyl quinoline-6-carboxylate | Formula: | C11 H9 N O2 | SMILES: | COC(=O)c1ccc2ncccc2c1 | InChi: | InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3 | Definition date: | 2019-11-06 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | methyl quinoline-6-carboxylate |
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| 6BV | Name: | (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol | Formula: | C12 H22 O10 S | SMILES: | OC[CH]1O[CH](S[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1 | Definition date: | 2019-10-02 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol |
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| P2J | Name: | 9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine | Formula: | C19 H31 N7 O5 | SMILES: | c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C(O)=O)N)CCCCC)c3n2 | InChi: | InChI=1S/C19H31N7O5/c1-2-3-4-6-25(7-5-11(20)19(29)30)8-12-14(27)15(28)18(31-12)26-10-24-13-16(21)22-9-23-17(13)26/h9-12,14-15,18,27-28H,2-8,20H2,1H3,(H,29,30)(H2,21,22,23)/t11-,12-,14-,15+,18-/m0/s1 | Definition date: | 2019-07-25 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine |
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| DO6 | Name: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone | Formula: | C20 H20 O7 | SMILES: | COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O | InChi: | InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3 | Definition date: | 2019-08-16 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone |
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| QB7 | Name: | 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid | Formula: | C29 H27 F O10 S2 | SMILES: | O=C(O)CCC(=O)c1sc2c(c1)cc(c(c2)OCCCOc4c(OC)cc3sc(C(=O)CCC(O)=O)cc3c4F)OC | InChi: | InChI=1S/C29H27FO10S2/c1-37-19-10-15-11-24(17(31)4-6-26(33)34)41-22(15)13-20(19)39-8-3-9-40-29-21(38-2)14-23-16(28(29)30)12-25(42-23)18(32)5-7-27(35)36/h10-14H,3-9H2,1-2H3,(H,33,34)(H,35,36) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid |
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| QBA | Name: | 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid) | Formula: | C29 H28 O10 S2 | SMILES: | O=C(O)CCC(=O)c1cc2c(s1)cc(c(c2)OC)OCCCOc3c(cc4c(c3)sc(C(=O)CCC(O)=O)c4)OC | InChi: | InChI=1S/C29H28O10S2/c1-36-20-10-16-12-26(18(30)4-6-28(32)33)40-24(16)14-22(20)38-8-3-9-39-23-15-25-17(11-21(23)37-2)13-27(41-25)19(31)5-7-29(34)35/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid) |
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| QBD | Name: | 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid | Formula: | C29 H28 O8 S2 | SMILES: | OC(CCC(=O)c1sc2c(c1)cc(c(c2)CCCc4c3cc(C(CCC(=O)O)=O)sc3cc(c4)OC)OC)=O | InChi: | InChI=1S/C29H28O8S2/c1-36-19-10-16(20-15-27(39-25(20)14-19)22(31)7-9-29(34)35)4-3-5-17-12-24-18(11-23(17)37-2)13-26(38-24)21(30)6-8-28(32)33/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid |
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| QBG | Name: | 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid | Formula: | C28 H25 F O10 S2 | SMILES: | OC(=O)CCC(=O)c1sc2c(c1)cc(c(c2)OC)OCCOc4c(F)c3cc(C(=O)CCC(=O)O)sc3cc4OC | InChi: | InChI=1S/C28H25FO10S2/c1-36-18-12-21-14(10-23(40-21)16(30)3-5-25(32)33)9-19(18)38-7-8-39-28-20(37-2)13-22-15(27(28)29)11-24(41-22)17(31)4-6-26(34)35/h9-13H,3-8H2,1-2H3,(H,32,33)(H,34,35) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid |
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| QBJ | Name: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid | Formula: | C29 H26 O9 S2 | SMILES: | OC(CCC(=O)c1sc2c(c1)cc(c(c2)OC)OC[C@H]=[C@H]c4cc3cc(C(CCC(=O)O)=O)sc3cc4OC)=O | InChi: | InChI=1S/C29H26O9S2/c1-36-21-14-24-17(12-26(39-24)19(30)5-7-28(32)33)10-16(21)4-3-9-38-23-11-18-13-27(20(31)6-8-29(34)35)40-25(18)15-22(23)37-2/h3-4,10-15H,5-9H2,1-2H3,(H,32,33)(H,34,35)/b4-3- | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid |
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| QKY | Name: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one | Formula: | C18 H25 N3 O | SMILES: | N1=C(N)N(C)C(=O)C1(c2ccccc2)CCC3CCCCC3 | InChi: | InChI=1S/C18H25N3O/c1-21-16(22)18(20-17(21)19,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,19,20)/t18-/m1/s1 | Definition date: | 2019-11-12 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one |
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| QL1 | Name: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one | Formula: | C21 H27 N3 O2 | SMILES: | N4(C(N)=NC(C13CC2CC(C1)CC(C2)C3)(C4=O)c5ccc(cc5)OC)C | InChi: | InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13-,14+,15-,20-,21-/m1/s1 | Definition date: | 2019-11-12 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one |
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| QME | Name: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole | Formula: | C13 H16 N2 | SMILES: | C1CC[CH](NC1)c2[nH]c3ccccc3c2 | InChi: | InChI=1S/C13H16N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-2,5-6,9,12,14-15H,3-4,7-8H2/t12-/m1/s1 | Definition date: | 2020-06-30 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole |
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| O9Q | Name: | 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one | Formula: | C16 H12 O4 | SMILES: | Cc1cccc(c1)C2=CC(=O)c3c(O)cc(O)cc3O2 | InChi: | InChI=1S/C16H12O4/c1-9-3-2-4-10(5-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3 | Definition date: | 2020-02-24 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one |
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| O9T | Name: | 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one | Formula: | C16 H12 O4 | SMILES: | Cc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2 | InChi: | InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3 | Definition date: | 2020-02-25 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one |
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| O9Z | Name: | 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one | Formula: | C15 H9 F O4 | SMILES: | Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3 | InChi: | InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H | Definition date: | 2020-02-25 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one |
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