 | | J4F | | Name: | 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid | | Formula: | C24 H23 Cl N8 O4 | | SMILES: | CN1C(=O)N(Cc2[nH]c3cccc(Cl)c3c2)C(=O)c4n(C)c(Nc5cc(C)nc(CCC(O)=O)n5)nc14 | | InChi: | InChI=1S/C24H23ClN8O4/c1-12-9-18(28-17(26-12)7-8-19(34)35)29-23-30-21-20(31(23)2)22(36)33(24(37)32(21)3)11-13-10-14-15(25)5-4-6-16(14)27-13/h4-6,9-10,27H,7-8,11H2,1-3H3,(H,34,35)(H,26,28,29,30) | | Synonyms: | 3-(4-((1-((4-chloro-1H-indol-2-yl)methyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-6-methylpyrimidin-2-yl)propanoic acid | | Definition date: | 2021-04-05 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 3-[4-[[1-[(4-chloranyl-1~{H}-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid |
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 | | J4L | | Name: | 1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | | Formula: | C20 H23 Cl2 N5 O3 | | SMILES: | CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c3n(C)c(N[CH]4CC[CH](O)CC4)nc13 | | InChi: | InChI=1S/C20H23Cl2N5O3/c1-25-16-17(24-19(25)23-12-4-6-13(28)7-5-12)26(2)20(30)27(18(16)29)10-11-3-8-14(21)15(22)9-11/h3,8-9,12-13,28H,4-7,10H2,1-2H3,(H,23,24)/t12-,13- | | Definition date: | 2021-04-05 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(4-oxidanylcyclohexyl)amino]purine-2,6-dione |
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 | | VE7 | | Name: | [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid | | Formula: | C24 H20 O5 | | SMILES: | c4c(c3c(c2c(cc(c1cc(ccc1)OC)cc2)o3)CC(O)=O)ccc(c4)OC | | InChi: | InChI=1S/C24H20O5/c1-27-18-9-6-15(7-10-18)24-21(14-23(25)26)20-11-8-17(13-22(20)29-24)16-4-3-5-19(12-16)28-2/h3-13H,14H2,1-2H3,(H,25,26) | | Definition date: | 2020-08-04 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid |
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 | | VED | | Name: | 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid | | Formula: | C24 H18 O6 | | SMILES: | c4(cccc(c2c(CC(O)=O)c1ccc(cc1o2)c3cc(ccc3)OC)c4)C(O)=O | | InChi: | InChI=1S/C24H18O6/c1-29-18-7-3-4-14(11-18)15-8-9-19-20(13-22(25)26)23(30-21(19)12-15)16-5-2-6-17(10-16)24(27)28/h2-12H,13H2,1H3,(H,25,26)(H,27,28) | | Definition date: | 2020-08-04 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid |
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 | | XOM | | Name: | (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one | | Formula: | C18 H21 Cl N2 O4 | | SMILES: | c4(COC3CN(C(=O)C2CC1(COC(=O)N1)C2)C3)ccc(c(c4)Cl)C | | InChi: | InChI=1S/C18H21ClN2O4/c1-11-2-3-12(4-15(11)19)9-24-14-7-21(8-14)16(22)13-5-18(6-13)10-25-17(23)20-18/h2-4,13-14H,5-10H2,1H3,(H,20,23)/t13-,18+ | | Definition date: | 2020-12-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one |
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 | | XOV | | Name: | (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one | | Formula: | C19 H22 Cl F N2 O4 | | SMILES: | c1(ccc(cc1Cl)F)OCC4CCN(C(C3CC2(COC(=O)N2)C3)=O)CC4 | | InChi: | InChI=1S/C19H22ClFN2O4/c20-15-7-14(21)1-2-16(15)26-10-12-3-5-23(6-4-12)17(24)13-8-19(9-13)11-27-18(25)22-19/h1-2,7,12-13H,3-6,8-11H2,(H,22,25)/t13-,19+ | | Definition date: | 2020-12-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one |
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 | | XP7 | | Name: | (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one | | Formula: | C19 H24 Cl F N2 O3 | | SMILES: | c3(OCC2CCN(C(=O)CCC1CCC(N1)=O)CC2)c(Cl)cc(cc3)F | | InChi: | InChI=1S/C19H24ClFN2O3/c20-16-11-14(21)1-4-17(16)26-12-13-7-9-23(10-8-13)19(25)6-3-15-2-5-18(24)22-15/h1,4,11,13,15H,2-3,5-10,12H2,(H,22,24)/t15-/m0/s1 | | Definition date: | 2020-12-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one |
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 | | XPD | | Name: | 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one | | Formula: | C21 H20 Cl F N2 O4 | | SMILES: | c4cc(OCC3CCN(C(c2cc1NC(=O)COc1cc2)=O)CC3)c(cc4F)Cl | | InChi: | InChI=1S/C21H20ClFN2O4/c22-16-10-15(23)2-4-18(16)28-11-13-5-7-25(8-6-13)21(27)14-1-3-19-17(9-14)24-20(26)12-29-19/h1-4,9-10,13H,5-8,11-12H2,(H,24,26) | | Definition date: | 2020-12-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one |
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 | | Y67 | | Name: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide | | Formula: | C26 H20 Cl N5 O2 | | SMILES: | Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c4ccc(cc4)C5=CC=CNC5=O)c1 | | InChi: | InChI=1S/C26H20ClN5O2/c27-20-6-3-5-18(15-20)16-31(25(33)17-32-24-9-2-1-8-23(24)29-30-32)21-12-10-19(11-13-21)22-7-4-14-28-26(22)34/h1-15H,16-17H2,(H,28,34) | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide |
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 | | XPV | | Name: | (6-phenyl-1-benzofuran-3-yl)acetic acid | | Formula: | C16 H12 O3 | | SMILES: | O=C(O)Cc1coc2cc(ccc12)c3ccccc3 | | InChi: | InChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18) | | Definition date: | 2020-12-29 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (6-phenyl-1-benzofuran-3-yl)acetic acid |
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 | | Y6A | | Name: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide | | Formula: | C22 H18 N6 O S | | SMILES: | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5c[nH]nc5 | | InChi: | InChI=1S/C22H18N6OS/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-9-10-30-15-16)19-7-5-17(6-8-19)18-11-23-24-12-18/h1-12,15H,13-14H2,(H,23,24) | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide |
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 | | Y6D | | Name: | 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide | | Formula: | C24 H19 N5 O S | | SMILES: | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5cccnc5 | | InChi: | InChI=1S/C24H19N5OS/c30-24(16-29-23-6-2-1-5-22(23)26-27-29)28(15-18-11-13-31-17-18)21-9-7-19(8-10-21)20-4-3-12-25-14-20/h1-14,17H,15-16H2 | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide |
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 | | Y6G | | Name: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide | | Formula: | C22 H18 N6 O S | | SMILES: | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5c[nH]cn5 | | InChi: | InChI=1S/C22H18N6OS/c29-22(13-28-21-4-2-1-3-19(21)25-26-28)27(12-16-9-10-30-14-16)18-7-5-17(6-8-18)20-11-23-15-24-20/h1-11,14-15H,12-13H2,(H,23,24) | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide |
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 | | Y6J | | Name: | ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide | | Formula: | C23 H21 N5 O2 S | | SMILES: | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)C5CC5)cc4 | | InChi: | InChI=1S/C23H21N5O2S/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-11-12-31-15-16)19-9-7-18(8-10-19)24-23(30)17-5-6-17/h1-4,7-12,15,17H,5-6,13-14H2,(H,24,30) | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide |
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 | | XQ1 | | Name: | [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid | | Formula: | C17 H14 O4 | | SMILES: | c1ccc(OC)cc1c2ccc3c(coc3c2)CC(O)=O | | InChi: | InChI=1S/C17H14O4/c1-20-14-4-2-3-11(7-14)12-5-6-15-13(9-17(18)19)10-21-16(15)8-12/h2-8,10H,9H2,1H3,(H,18,19) | | Definition date: | 2020-12-29 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid |
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 | | YQV | | Name: | methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate | | Formula: | C42 H59 F N6 O6 S | | SMILES: | O=S(=O)(c1ccc(cc1)N1CC(CN2CCC(CC2)C(CN2CCC2)(c2cccc(F)c2)C2CCCC2NC(=O)OC)(OC)C1)N1CC2CC1CN2C(=O)CC | | InChi: | InChI=1S/C42H59FN6O6S/c1-4-39(50)48-24-35-23-34(48)25-49(35)56(52,53)36-14-12-33(13-15-36)47-27-41(28-47,55-3)26-46-20-16-30(17-21-46)42(29-45-18-7-19-45,31-8-5-9-32(43)22-31)37-10-6-11-38(37)44-40(51)54-2/h5,8-9,12-15,22,30,34-35,37-38H,4,6-7,10-11,16-21,23-29H2,1-3H3,(H,44,51)/t34-,35-,37-,38-,42-/m0/s1 | | Definition date: | 2021-03-24 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate |
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 | | VJV | | Name: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide | | Formula: | C31 H43 N5 O3 | | SMILES: | O=C(C2C1(CCN(C)CC1)C2)NC(c3nc(cn3)c5cc4ccc(C)nc4cc5)CCCCCC(CC)(O)O | | InChi: | InChI=1S/C31H43N5O3/c1-4-31(38,39)13-7-5-6-8-26(35-29(37)24-19-30(24)14-16-36(3)17-15-30)28-32-20-27(34-28)23-11-12-25-22(18-23)10-9-21(2)33-25/h9-12,18,20,24,26,38-39H,4-8,13-17,19H2,1-3H3,(H,32,34)(H,35,37)/t24-,26+/m1/s1 | | Definition date: | 2020-08-17 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide |
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 | | YC1 | | Name: | [5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol | | Formula: | C19 H16 N2 O2 | | SMILES: | OCc1oc(cc1)c2nn(Cc3ccccc3)c4ccccc24 | | InChi: | InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2 | | Definition date: | 2020-10-15 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | [5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol |
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 | | ZH7 | | Name: | (3~{E},5~{E},7~{E},9~{R},10~{R},11~{E},13~{E},17~{S},18~{S},20~{S})-18-methoxy-20-[(~{R})-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(2~{R})-3-methoxy-2-[(2~{R},4~{S},5~{S},6~{S})-5-[(2~{S},4~{R},5~{R},6~{R})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one | | Formula: | C58 H96 O21 | | SMILES: | OC(C1CC(OC)C(O)CCC=C(C)C=CC(OC2OC(C)C(OC)C(O)C2O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O1)C1(O)OC(CC(COC)OC2CC(C)(O)C(OC3CC(OC)C(O)C(C)O3)C(C)O2)C(C)C(O)C1C | | InChi: | InChI=1S/C58H96O21/c1-29-17-16-18-40(59)43(69-13)25-45(76-55(65)33(5)23-31(3)21-30(2)22-32(4)41(20-19-29)77-56-51(63)50(62)52(71-15)37(9)74-56)53(64)58(67)35(7)48(60)34(6)42(79-58)24-39(28-68-12)75-47-27-57(11,66)54(38(10)73-47)78-46-26-44(70-14)49(61)36(8)72-46/h17,19-23,32,34-54,56,59-64,66-67H,16,18,24-28H2,1-15H3/b20-19+,29-17+,30-22+,31-21+,33-23+/t32-,34+,35-,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46+,47+,48+,49-,50+,51+,52+,53-,54+,56+,57+,58-/m1/s1 | | Synonyms: | Apoptolidin A | | Definition date: | 2021-04-27 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-{(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-{[(2R,4S,5S,6S)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyloxan-2-yl]oxy}-3-methoxypropyl]-3,5-dimethyloxan-2-yl}(hydroxy)methyl]-10-{[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one (non-preferred name) |
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 | | ZHD | | Name: | (3~{E},5~{Z},7~{E},9~{R},10~{S},11~{E},13~{E},15~{E},17~{R},18~{S},20~{S})-20-[(1~{R})-1-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},4~{S},5~{S},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one | | Formula: | C59 H96 O22 | | SMILES: | CC1(O)CC(OC(C)C1O)OC1C(O)CC(OC1C)OC1(C)C(CCCOC)OC(O)(C(C)C2CC(OC)C(O)C=C(C)C=C(C)C=C(C)C(OC3OC(C)C(O)C(O)C3O)C(C)C=C(C)C=C(OC)C=C(C)C(=O)O2)C(OC)C1O | | InChi: | InChI=1S/C59H96O22/c1-29-20-30(2)24-40(60)43(72-15)27-42(77-55(67)34(6)25-39(71-14)23-31(3)22-33(5)50(32(4)21-29)79-56-49(64)48(63)47(62)36(8)76-56)35(7)59(69)54(73-16)53(66)58(12,44(80-59)18-17-19-70-13)81-45-26-41(61)51(37(9)74-45)78-46-28-57(11,68)52(65)38(10)75-46/h20-25,33,35-38,40-54,56,60-66,68-69H,17-19,26-28H2,1-16H3/b29-20+,30-24+,31-22+,32-21+,34-25+,39-23-/t33-,35-,36+,37-,38-,40-,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51-,52-,53-,54-,56+,57-,58-,59+/m1/s1 | | Synonyms: | Ammocidin A | | Definition date: | 2021-04-27 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (3E,5Z,7E,9R,10S,11E,13E,15E,17R,18S,20S)-20-{(1R)-1-[(2S,3R,4R,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4R,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-2,4-dihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl}-17-hydroxy-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one (non-preferred name) |
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 | | YG7 | | Name: | 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide | | Formula: | C26 H27 N5 O2 | | SMILES: | N#Cc1ccc2[NH]cc(CCCCN3CCN(CC3)c3cc4cc(oc4cc3)C(N)=O)c2c1 | | InChi: | InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32) | | Definition date: | 2021-03-02 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide |
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 | | UGZ | | Name: | N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide | | Formula: | C25 H27 Cl N2 O5 S | | SMILES: | COc1cc(ccc1CNCCN[S](C)(=O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3 | | InChi: | InChI=1S/C25H27ClN2O5S/c1-31-23-14-17(6-7-19(23)16-27-10-11-28-34(2,29)30)20-4-3-5-21(25(20)26)18-8-9-22-24(15-18)33-13-12-32-22/h3-9,14-15,27-28H,10-13,16H2,1-2H3 | | Synonyms: | ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide | | Definition date: | 2021-02-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide |
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 | | Y1G | | Name: | (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid | | Formula: | C16 H11 Br O3 | | SMILES: | c1c(Br)cc2c(c1)c(c(o2)c3ccccc3)CC(O)=O | | InChi: | InChI=1S/C16H11BrO3/c17-11-6-7-12-13(9-15(18)19)16(20-14(12)8-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) | | Definition date: | 2021-01-26 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid |
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 | | ZMD | | Name: | (3S)-2,1-benzoxaborole-1,3(3H)-diol | | Formula: | C7 H7 B O3 | | SMILES: | OB1OC(O)c2ccccc12 | | InChi: | InChI=1S/C7H7BO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9-10H/t7-/m0/s1 | | Definition date: | 2021-05-07 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (3S)-2,1-benzoxaborole-1,3(3H)-diol |
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 | | VCY | | Name: | [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid | | Formula: | C24 H20 O5 | | SMILES: | c4(cc(c3c(c2c(cc(c1cccc(c1)OC)cc2)o3)CC(O)=O)ccc4)OC | | InChi: | InChI=1S/C24H20O5/c1-27-18-7-3-5-15(11-18)16-9-10-20-21(14-23(25)26)24(29-22(20)13-16)17-6-4-8-19(12-17)28-2/h3-13H,14H2,1-2H3,(H,25,26) | | Definition date: | 2020-07-30 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid |
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