 | | E8T | | Name: | (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione | | Formula: | C29 H40 N2 O5 | | SMILES: | CC[CH]1C[CH]2C[CH]3[CH]4CC=CC(=O)NCCC[CH]5NC(=O)C(=C(O)C=C[CH]4C[CH](O)[CH]3[CH]2[CH]1C)C5=O | | InChi: | InChI=1S/C29H40N2O5/c1-3-16-12-18-13-20-19-6-4-8-24(34)30-11-5-7-21-28(35)27(29(36)31-21)22(32)10-9-17(19)14-23(33)26(20)25(18)15(16)2/h4,8-10,15-21,23,25-26,32-33H,3,5-7,11-14H2,1-2H3,(H,30,34)(H,31,36)/b8-4-,10-9+,27-22-/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-/m0/s1 | | Synonyms: | 10-epi-deOH-HSAF | | Definition date: | 2023-06-14 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 |
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 | | IJJ | | Name: | 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide | | Formula: | C21 H23 N3 O6 | | SMILES: | COc1ccc(CCNC(=O)c2onc(n2)c3ccc(OC)c(OC)c3)cc1OC | | InChi: | InChI=1S/C21H23N3O6/c1-26-15-7-5-13(11-17(15)28-3)9-10-22-20(25)21-23-19(24-30-21)14-6-8-16(27-2)18(12-14)29-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25) | | Definition date: | 2023-08-01 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide |
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 | | IKG | | Name: | ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide | | Formula: | C24 H23 N5 O5 | | SMILES: | COc1ccc(cc1OC)c2noc(n2)C(=O)N[CH](Cc3ccc(cc3)C(=O)N4CCC4)C#N | | InChi: | InChI=1S/C24H23N5O5/c1-32-19-9-8-17(13-20(19)33-2)21-27-23(34-28-21)22(30)26-18(14-25)12-15-4-6-16(7-5-15)24(31)29-10-3-11-29/h4-9,13,18H,3,10-12H2,1-2H3,(H,26,30)/t18-/m1/s1 | | Synonyms: | ACV thioaldehyde | | Definition date: | 2023-08-01 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide |
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 | | IL8 | | Name: | ~{N}-[2-[4-(azetidin-1-ylcarbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide | | Formula: | C23 H24 N4 O5 | | SMILES: | COc1ccc(cc1OC)c2noc(n2)C(=O)NCCc3ccc(cc3)C(=O)N4CCC4 | | InChi: | InChI=1S/C23H24N4O5/c1-30-18-9-8-17(14-19(18)31-2)20-25-22(32-26-20)21(28)24-11-10-15-4-6-16(7-5-15)23(29)27-12-3-13-27/h4-9,14H,3,10-13H2,1-2H3,(H,24,28) | | Definition date: | 2023-08-01 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | ~{N}-[2-[4-(azetidin-1-ylcarbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide |
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 | | IYJ | | Name: | (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine | | Formula: | C9 H7 Cl2 N5 | | SMILES: | Clc1cccc(c1Cl)c1nnc(N)nc1N | | InChi: | InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) | | Definition date: | 2023-08-04 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine |
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 | | MHX | | Name: | Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, cyanide cluster (-CO form) | | Formula: | C8 H5 Fe2 N3 O4 S2 | | SMILES: | [Fe+]C(=O)[Fe+]1SCNCS1.[C-]#N.[C-]#N.[C-]#[O+].[C-]#[O+].[C-]#[O+] | | InChi: | InChI=1S/C2H5NS2.2CN.4CO.2Fe/c4-1-3-2-5 | | Definition date: | 2022-07-27 | | Last modified: | 2023-11-12 | | Release date: | 2022-12-14 | | Identifier: | 1,1,7-tris(hydroxymethyl)-8-oxidanylidene-2$l^{3},6$l^{3}-dithia-4-aza-1$l^{6},7$l^{5}-diferratricyclo[4.2.0.0^{2,7}]octane-1,7-dicarbonitrile |
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 | | XHF | | Name: | 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol | | Formula: | C13 H12 Br2 N2 O | | SMILES: | Cc1n[NH]c(C)c1/C=C/c1cc(Br)c(O)c(Br)c1 | | InChi: | InChI=1S/C13H12Br2N2O/c1-7-10(8(2)17-16-7)4-3-9-5-11(14)13(18)12(15)6-9/h3-6,18H,1-2H3,(H,16,17)/b4-3+ | | Definition date: | 2022-11-17 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol |
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 | | XID | | Name: | (1S,2R,3R,4S,5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] | | Formula: | C6 H16 O18 P4 | | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O | | InChi: | InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m1/s1 | | Definition date: | 2023-11-02 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | (1S,2R,3R,4S,5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] |
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 | | XZW | | Name: | [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[4-[[1-[3-[2-[[[(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propyl]-1,2,3-triazol-4-yl]methoxy]phenyl]propyl] (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | Formula: | C72 H91 F N8 O14 S | | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5ccc(OCc6cn(CCCOc7cc(ccc7CNC(=O)[CH]8C[CH](O)CN8C(=O)[CH](NC(=O)C9(F)CC9)C(C)(C)C)c%10scnc%10C)nn6)cc5)cc1OC | | InChi: | InChI=1S/C72H91FN8O14S/c1-44-64(96-43-75-44)48-21-22-49(39-74-66(83)55-38-52(82)41-81(55)68(85)65(71(2,3)4)76-70(87)72(73)29-30-72)58(35-48)93-33-15-31-79-40-51(77-78-79)42-94-53-25-23-46(24-26-53)56(27-19-45-20-28-57(88-5)59(34-45)89-6)95-69(86)54-18-13-14-32-80(54)67(84)62(47-16-11-10-12-17-47)50-36-60(90-7)63(92-9)61(37-50)91-8/h20-26,28,34-37,40,43,47,52,54-56,62,65,82H,10-19,27,29-33,38-39,41-42H2,1-9H3,(H,74,83)(H,76,87)/t52-,54+,55+,56-,62+,65-/m1/s1 | | Definition date: | 2023-06-09 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[4-[[1-[3-[2-[[[(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propyl]-1,2,3-triazol-4-yl]methoxy]phenyl]propyl] (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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 | | VRK | | Name: | (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol | | Formula: | C20 H27 N O3 | | SMILES: | NC[CH]1O[CH](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4 | | InChi: | InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12+,13-,17-,18-,20-/m1/s1 | | Definition date: | 2023-08-09 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol |
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 | | UJF | | Name: | 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol | | Formula: | C14 H14 I N O2 | | SMILES: | NCCc1ccc(Oc2ccc(O)cc2)c(I)c1 | | InChi: | InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2 | | Definition date: | 2023-06-07 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol |
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 | | UJL | | Name: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine | | Formula: | C9 H13 N O S | | SMILES: | CNC[CH]1OCCc2ccsc12 | | InChi: | InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1 | | Synonyms: | Ulotaront | | Definition date: | 2023-06-07 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine |
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 | | UJU | | Name: | 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide | | Formula: | C17 H22 N4 O2 | | SMILES: | CCc1[nH]nc(C(=O)Nc2ccc(cc2)[CH]3CNCCO3)c1C | | InChi: | InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1 | | Synonyms: | Ralmitaront | | Definition date: | 2023-06-07 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide |
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 | | QXO | | Name: | 2-(6-fluoranylindol-1-yl)ethanoic acid | | Formula: | C10 H8 F N O2 | | SMILES: | OC(=O)Cn1ccc2ccc(F)cc12 | | InChi: | InChI=1S/C10H8FNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14) | | Synonyms: | 2-(6-fluoro-1H-indol-1-yl)acetic acid | | Definition date: | 2022-11-16 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 2-(6-fluoranylindol-1-yl)ethanoic acid |
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 | | ZNQ | | Name: | (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] | | Formula: | C6 H16 O18 P4 | | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O | | InChi: | InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m0/s1 | | Synonyms: | scyllo-L-(1,2,3,4)-IP4 | | Definition date: | 2023-06-29 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] |
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 | | ZNU | | Name: | (1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] | | Formula: | C6 H17 O21 P5 | | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O | | InChi: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5-,6-/m0/s1 | | Synonyms: | myo-(1OH)IP5 | | Definition date: | 2023-06-29 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | (1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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 | | ZNZ | | Name: | (1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] | | Formula: | C6 H17 O21 P5 | | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O | | InChi: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5-,6-/m1/s1 | | Synonyms: | myo-(3OH)IP5 | | Definition date: | 2023-06-29 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | (1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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 | | ZOW | | Name: | (1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)] | | Formula: | C6 H18 O24 P6 | | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)OP(=O)(O)O)C1OP(=O)(O)O | | InChi: | InChI=1S/C6H18O24P6/c7-1-2(8)4(28-36(23,24)30-34(18,19)20)6(26-32(12,13)14)5(25-31(9,10)11)3(1)27-35(21,22)29-33(15,16)17/h1-8H,(H,21,22)(H,23,24)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m0/s1 | | Definition date: | 2023-06-29 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | (1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)] |
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 | | Y5Q | | Name: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C48 H61 Cl2 N9 O9 S2 | | SMILES: | C[CH](N1C[CH](C=C)[CH]2CCC[CH](N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3)C1=O)c4cn(CCOCCOCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)nn4 | | InChi: | InChI=1S/C48H61Cl2N9O9S2/c1-7-32-24-57(46(63)40-10-8-9-39(32)59(40)70(65,66)37-20-34(49)19-35(50)21-37)30(3)38-26-56(55-54-38)15-16-67-17-18-68-27-42(61)53-44(48(4,5)6)47(64)58-25-36(60)22-41(58)45(62)51-23-31-11-13-33(14-12-31)43-29(2)52-28-69-43/h7,11-14,19-21,26,28,30,32,36,39-41,44,60H,1,8-10,15-18,22-25,27H2,2-6H3,(H,51,62)(H,53,61)/t30-,32-,36+,39+,40-,41-,44+/m0/s1 | | Definition date: | 2023-06-12 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | W0Z | | Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide | | Formula: | C13 H13 F2 N3 O4 | | SMILES: | COc1c(N)c(F)cc(C(=O)N[CH]2CCC(=O)NC2=O)c1F | | InChi: | InChI=1S/C13H13F2N3O4/c1-22-11-9(15)5(4-6(14)10(11)16)12(20)17-7-2-3-8(19)18-13(7)21/h4,7H,2-3,16H2,1H3,(H,17,20)(H,18,19,21)/t7-/m0/s1 | | Definition date: | 2023-04-24 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide |
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 | | W1B | | Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide | | Formula: | C12 H13 N3 O4 | | SMILES: | Nc1ccc(c(O)c1)C(=O)N[CH]2CCC(=O)NC2=O | | InChi: | InChI=1S/C12H13N3O4/c13-6-1-2-7(9(16)5-6)11(18)14-8-3-4-10(17)15-12(8)19/h1-2,5,8,16H,3-4,13H2,(H,14,18)(H,15,17,19)/t8-/m0/s1 | | Definition date: | 2023-04-24 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide |
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 | | W1F | | Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide | | Formula: | C13 H15 N3 O4 | | SMILES: | COc1cc(N)ccc1C(=O)N[CH]2CCC(=O)NC2=O | | InChi: | InChI=1S/C13H15N3O4/c1-20-10-6-7(14)2-3-8(10)12(18)15-9-4-5-11(17)16-13(9)19/h2-3,6,9H,4-5,14H2,1H3,(H,15,18)(H,16,17,19)/t9-/m0/s1 | | Definition date: | 2023-04-24 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide |
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 | | W1T | | Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide | | Formula: | C12 H12 F N3 O3 | | SMILES: | Nc1ccc(c(F)c1)C(=O)N[CH]2CCC(=O)NC2=O | | InChi: | InChI=1S/C12H12FN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)/t9-/m0/s1 | | Definition date: | 2023-04-24 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide |
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 | | W1X | | Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide | | Formula: | C13 H12 F3 N3 O3 | | SMILES: | Nc1ccc(C(=O)N[CH]2CCC(=O)NC2=O)c(c1)C(F)(F)F | | InChi: | InChI=1S/C13H12F3N3O3/c14-13(15,16)8-5-6(17)1-2-7(8)11(21)18-9-3-4-10(20)19-12(9)22/h1-2,5,9H,3-4,17H2,(H,18,21)(H,19,20,22)/t9-/m0/s1 | | Definition date: | 2023-04-24 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide |
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 | | WIY | | Name: | 4,4,4-trifluorobutan-1-ol | | Formula: | C4 H7 F3 O | | SMILES: | FC(F)(F)CCCO | | InChi: | InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2 | | Definition date: | 2023-05-15 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 4,4,4-trifluorobutan-1-ol |
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