 | | ZQ2 | | Name: | [Ru2(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol) | | Formula: | C15 H16 N2 O2 Ru2 | | SMILES: | CC1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C13H12N2.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | | Synonyms: | 3-methyl-6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane | | Definition date: | 2023-06-29 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | 3-methyl-6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane |
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 | | UH3 | | Name: | (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide | | Formula: | C14 H12 N4 O2 | | SMILES: | Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O | | InChi: | InChI=1S/C14H12N4O2/c1-7-12(17-6-16-7)5-10-9-4-8(13(15)19)2-3-11(9)18-14(10)20/h2-6H,1H3,(H2,15,19)(H,16,17)(H,18,20) | | Definition date: | 2023-09-05 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide |
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 | | XNO | | Name: | xanomeline | | Formula: | C14 H23 N3 O S | | SMILES: | CN1CCC=C(C1)c1nsnc1OCCCCCC | | InChi: | InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3 | | Synonyms: | (5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine | | Definition date: | 2023-02-03 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | (5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine |
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 | | WCJ | | Name: | N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide | | Formula: | C28 H26 F N7 O2 | | SMILES: | CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)c(F)c1 | | InChi: | InChI=1S/C28H26FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-15H,1-4H3,(H,35,37)(H2,30,32,33) | | Definition date: | 2023-05-11 | | Last modified: | 2023-09-08 | | Release date: | 2023-06-07 | | Identifier: | N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide |
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 | | ULL | | Name: | propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | | Formula: | C26 H24 Br N3 O3 | | SMILES: | O=C(c1ccc(Br)cc1)N1N=C(CC1c1ccccc1)c1ccc(NC(=O)OC(C)C)cc1 | | InChi: | InChI=1S/C26H24BrN3O3/c1-17(2)33-26(32)28-22-14-10-18(11-15-22)23-16-24(19-6-4-3-5-7-19)30(29-23)25(31)20-8-12-21(27)13-9-20/h3-15,17,24H,16H2,1-2H3,(H,28,32)/t24-/m0/s1 | | Definition date: | 2023-09-06 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate |
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 | | ZWH | | Name: | [Ru2Cl(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)(succinic acid)2] | | Formula: | C23 H28 N2 O10 Ru2 | | SMILES: | C[CH]1O[Ru]23O[CH](CCC(O)=O)O[Ru](O1)(O[CH](CCC(O)=O)O2)N(CN3c4ccccc4)c5ccccc5 | | InChi: | InChI=1S/C13H12N2.2C4H6O4.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | | Definition date: | 2023-07-06 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 |
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 | | ZWL | | Name: | [Ru2(DPhF)(Formate)(CO3)] | | Formula: | C15 H14 N2 O5 Ru2 | | SMILES: | O=C1O[Ru]23OCO[Ru]2(O1)N(CN3c4ccccc4)c5ccccc5 | | InChi: | InChI=1S/C13H12N2.CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | | Definition date: | 2023-07-06 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | 9,11-diphenyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-3-one |
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 | | ZWN | | Name: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | | Formula: | C27 H32 O14 | | SMILES: | Oc1ccc(cc1)C1CC(=O)c2c(O)cc(cc2O1)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O | | InChi: | InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 | | Synonyms: | Naringin | | Definition date: | 2023-04-13 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
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 | | ZWO | | Name: | Ru2(DPhF)(CO3)3 | | Formula: | C16 H12 N2 O9 Ru2 | | SMILES: | O=C1O[Ru]23OC(=O)O[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5 | | InChi: | InChI=1S/C13H12N2.3CH2O3.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | | Definition date: | 2023-07-07 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 |
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 | | XBQ | | Name: | Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide | | Formula: | C29 H33 N5 O6 S | | SMILES: | O=S(=O)(c1ccc(N)cc1)N1CC(=O)N(CC(=O)NC(Cc2ccccc2)C(=O)N(C)c2ccc(OC)cc2)CC1 | | InChi: | InChI=1S/C29H33N5O6S/c1-32(23-10-12-24(40-2)13-11-23)29(37)26(18-21-6-4-3-5-7-21)31-27(35)19-33-16-17-34(20-28(33)36)41(38,39)25-14-8-22(30)9-15-25/h3-15,26H,16-20,30H2,1-2H3,(H,31,35)/t26-/m0/s1 | | Definition date: | 2022-11-10 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide |
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 | | ZXE | | Name: | Ru2(DPhF)(CO3)2(Formate) | | Formula: | C16 H14 N2 O8 Ru2 | | SMILES: | O=C1O[Ru]23OCO[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5 | | InChi: | InChI=1S/C13H12N2.2CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | | Definition date: | 2023-07-07 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 |
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 | | WFI | | Name: | 1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine | | Formula: | C10 H11 N3 S | | SMILES: | NCc1sc(nc1C)c1ccncc1 | | InChi: | InChI=1S/C10H11N3S/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h2-5H,6,11H2,1H3 | | Definition date: | 2022-09-06 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | 1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine |
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 | | YWV | | Name: | [Ru2(DPhF)(Formate)] | | Formula: | C14 H14 N2 O2 Ru2 | | SMILES: | C1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C13H12N2.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | | Definition date: | 2023-06-22 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | 6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane |
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 | | ZJK | | Name: | 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane | | Formula: | C27 H27 N4 O3 Ru2 | | SMILES: | O[Ru]12OCO[Ru](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)c6ccccc6 | | InChi: | InChI=1S/2C13H12N2.CH2O2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | | Definition date: | 2023-06-27 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
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 | | WZQ | | 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}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide | | Formula: | C21 H31 N5 O3 S | | SMILES: | O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCNCc3cc4CCCOc4cn3 | | InChi: | InChI=1S/C21H31N5O3S/c27-19(6-2-1-5-18-20-16(13-30-18)25-21(28)26-20)23-8-7-22-11-15-10-14-4-3-9-29-17(14)12-24-15/h10,12,16,18,20,22H,1-9,11,13H2,(H,23,27)(H2,25,26,28)/t16-,18-,20-/m0/s1 | | Definition date: | 2023-05-26 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | 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}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide |
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 | | ZJO | | Name: | 1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane | | Formula: | C26 H25 N4 O Ru2 | | SMILES: | O[Ru]1N(CN([Ru]N(CN1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5 | | InChi: | InChI=1S/2C13H12N2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | | Definition date: | 2023-06-27 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | 1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane |
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 | | S9R | | Name: | [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate | | Formula: | C6 H14 O8 P2 | | SMILES: | CCC(CO)=CCO[P](O)(=O)O[P](O)(O)=O | | InChi: | InChI=1S/C6H14O8P2/c1-2-6(5-7)3-4-13-16(11,12)14-15(8,9)10/h3,7H,2,4-5H2,1H3,(H,11,12)(H2,8,9,10)/b6-3+ | | Definition date: | 2023-04-11 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | [(~{E})-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate |
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 | | X08 | | 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}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide | | Formula: | C19 H29 N5 O2 S | | SMILES: | Cc1ccc(CNCCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)nc1 | | InChi: | InChI=1S/C19H29N5O2S/c1-13-6-7-14(22-10-13)11-20-8-9-21-17(25)5-3-2-4-16-18-15(12-27-16)23-19(26)24-18/h6-7,10,15-16,18,20H,2-5,8-9,11-12H2,1H3,(H,21,25)(H2,23,24,26)/t15-,16-,18-/m0/s1 | | Definition date: | 2023-05-26 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | 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}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide |
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 | | SE6 | | Name: | [(2E)-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate | | Formula: | C7 H14 O8 P2 | | SMILES: | OCC(CC=C)=CCO[P](O)(=O)O[P](O)(O)=O | | InChi: | InChI=1S/C7H14O8P2/c1-2-3-7(6-8)4-5-14-17(12,13)15-16(9,10)11/h2,4,8H,1,3,5-6H2,(H,12,13)(H2,9,10,11)/b7-4+ | | Definition date: | 2023-04-11 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | [(2~{E})-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate |
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 | | T9C | | Name: | (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid | | Formula: | C26 H19 N3 O6 | | SMILES: | Cc1ccc2c(NC(=O)[C]2(c3c[nH]nc3)c4cc(ccc4O)c5ccc(cc5C(O)=O)C(O)=O)c1 | | InChi: | InChI=1S/C26H19N3O6/c1-13-2-6-19-21(8-13)29-25(35)26(19,16-11-27-28-12-16)20-10-14(4-7-22(20)30)17-5-3-15(23(31)32)9-18(17)24(33)34/h2-12,30H,1H3,(H,27,28)(H,29,35)(H,31,32)(H,33,34)/t26-/m1/s1 | | Synonyms: | 4-[3-[(3S)-6-methyl-2-oxidanylidene-3-(1H-pyrazol-4-yl)-1H-indol-3-yl]-4-oxidanyl-phenyl]benzene-1,3-dicarboxylic acid | | Definition date: | 2023-01-04 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | 4-[3-[(3~{S})-6-methyl-2-oxidanylidene-3-(1~{H}-pyrazol-4-yl)-1~{H}-indol-3-yl]-4-oxidanyl-phenyl]benzene-1,3-dicarboxylic acid |
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 | | U4X | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol | | Formula: | C26 H33 N O5 | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCOCc2cc3ccccc3c4ccccc24 | | InChi: | InChI=1S/C26H33NO5/c28-16-23-25(30)26(31)24(29)15-27(23)12-6-1-7-13-32-17-19-14-18-8-2-3-9-20(18)22-11-5-4-10-21(19)22/h2-5,8-11,14,23-26,28-31H,1,6-7,12-13,15-17H2/t23-,24+,25-,26-/m1/s1 | | Definition date: | 2023-01-25 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol |
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 | | U54 | | Name: | (1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol | | Formula: | C21 H41 N5 O4 | | SMILES: | NCCCCc1cn(CCCCCCCCN[CH]2C[CH](O)[CH](O)[CH](O)[CH]2CO)nn1 | | InChi: | InChI=1S/C21H41N5O4/c22-10-6-5-9-16-14-26(25-24-16)12-8-4-2-1-3-7-11-23-18-13-19(28)21(30)20(29)17(18)15-27/h14,17-21,23,27-30H,1-13,15,22H2/t17-,18+,19-,20+,21+/m0/s1 | | Definition date: | 2023-01-25 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | (1~{S},2~{R},3~{R},4~{R},5~{R})-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol |
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 | | CW9 | | Name: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine | | Formula: | C21 H28 Br N5 O4 | | SMILES: | COCCN(CCOC)c1nc(C)nc2n1nc(C)c2c3c(OC)cc(Br)cc3OC | | InChi: | InChI=1S/C21H28BrN5O4/c1-13-18(19-16(30-5)11-15(22)12-17(19)31-6)20-23-14(2)24-21(27(20)25-13)26(7-9-28-3)8-10-29-4/h11-12H,7-10H2,1-6H3 | | Definition date: | 2019-05-22 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine |
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 | | KZO | | Name: | Astragaloside IV | | Formula: | C41 H68 O14 | | SMILES: | CC(C)(O)[CH]1CC[C](C)(O1)[CH]2[CH](O)C[C]3(C)[CH]4C[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]6C(C)(C)[CH](CC[C]67C[C]47CC[C]23C)O[CH]8OC[CH](O)[CH](O)[CH]8O | | InChi: | InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33+,34-,37-,38+,39-,40+,41-/m1/s1 | | Definition date: | 2022-11-01 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 |
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 | | 0JS | | Name: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine | | Formula: | C23 H30 Br N5 O2 | | SMILES: | CCCCN(CC1CC1)c2nc(C)nc3n2nc(C)c3c4c(OC)cc(Br)cc4OC | | InChi: | InChI=1S/C23H30BrN5O2/c1-6-7-10-28(13-16-8-9-16)23-26-15(3)25-22-20(14(2)27-29(22)23)21-18(30-4)11-17(24)12-19(21)31-5/h11-12,16H,6-10,13H2,1-5H3 | | Definition date: | 2021-06-10 | | Last modified: | 2023-09-08 | | Release date: | 2023-09-13 | | Identifier: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine |
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