 | | U9W | | Name: | ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide | | Formula: | C13 H17 Cl N2 O | | SMILES: | CC1CCN(CC1)C(=O)Nc2ccc(Cl)cc2 | | InChi: | InChI=1S/C13H17ClN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide |
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 | | U9Z | | Name: | 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide | | Formula: | C14 H17 F3 N2 O | | SMILES: | CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F | | InChi: | InChI=1S/C14H17F3N2O/c1-10-6-8-19(9-7-10)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide |
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 | | UA8 | | Name: | ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide | | Formula: | C14 H26 N2 O | | SMILES: | CC1CCN(CC1)C(=O)NC2CCCCCC2 | | InChi: | InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide |
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 | | UAB | | Name: | 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide | | Formula: | C17 H26 N2 O | | SMILES: | CC1CCN(CC1)C(=O)NCCCCc2ccccc2 | | InChi: | InChI=1S/C17H26N2O/c1-15-10-13-19(14-11-15)17(20)18-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,18,20) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide |
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 | | UAE | | Name: | ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide | | Formula: | C13 H24 N2 O | | SMILES: | CC1CCN(CC1)C(=O)NC2CCCCC2 | | InChi: | InChI=1S/C13H24N2O/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide |
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 | | UAK | | Name: | 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide | | Formula: | C15 H22 N2 O | | SMILES: | CC1CCN(CC1)C(=O)N[CH](C)c2ccccc2 | | InChi: | InChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)16-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,18)/t13-/m1/s1 | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide |
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 | | UAQ | | Name: | ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide | | Formula: | C12 H18 N2 O2 | | SMILES: | CC1CCN(CC1)C(=O)NCc2occc2 | | InChi: | InChI=1S/C12H18N2O2/c1-10-4-6-14(7-5-10)12(15)13-9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide |
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 | | UAT | | Name: | 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide | | Formula: | C14 H20 N2 O | | SMILES: | CC1CCN(CC1)C(=O)NCc2ccccc2 | | InChi: | InChI=1S/C14H20N2O/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide |
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 | | UAW | | Name: | ~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide | | Formula: | C13 H18 N2 O2 | | SMILES: | CC1CCN(CC1)C(=O)Nc2ccc(O)cc2 | | InChi: | InChI=1S/C13H18N2O2/c1-10-6-8-15(9-7-10)13(17)14-11-2-4-12(16)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,14,17) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | ~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide |
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 | | UAZ | | Name: | ~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide | | Formula: | C14 H20 N2 O2 | | SMILES: | COc1ccc(NC(=O)N2CCC(C)CC2)cc1 | | InChi: | InChI=1S/C14H20N2O2/c1-11-7-9-16(10-8-11)14(17)15-12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,15,17) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | ~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide |
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 | | UB5 | | Name: | 4-methyl-~{N}-pentyl-piperidine-1-carboxamide | | Formula: | C12 H24 N2 O | | SMILES: | CCCCCNC(=O)N1CCC(C)CC1 | | InChi: | InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 4-methyl-~{N}-pentyl-piperidine-1-carboxamide |
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 | | UBN | | Name: | 4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide | | Formula: | C15 H30 N2 O | | SMILES: | CCCCCCCCNC(=O)N1CCC(C)CC1 | | InChi: | InChI=1S/C15H30N2O/c1-3-4-5-6-7-8-11-16-15(18)17-12-9-14(2)10-13-17/h14H,3-13H2,1-2H3,(H,16,18) | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 4-methyl-~{N}-octyl-piperidine-1-carboxamide |
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 | | UBQ | | Name: | 4-methyl-~{N}-undecyl-pyridine-1-carboxamide | | Formula: | C18 H36 N2 O | | SMILES: | CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1 | | InChi: | InChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)/p+1 | | Definition date: | 2021-02-09 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 4-methyl-~{N}-undecyl-3,4,5,6-tetrahydro-2~{H}-pyridine-1-carboxamide |
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 | | UD8 | | Name: | N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide | | Formula: | C24 H36 N6 O6 S | | SMILES: | CC1(C)O[CH]2CN(CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O)=O)nn3)C[CH](O)[CH]2O1 | | InChi: | InChI=1S/C24H36N6O6S/c1-24(2)35-21-16-29(15-20(31)22(21)36-24)11-5-3-4-6-12-30-14-18(27-28-30)13-26-23(32)17-7-9-19(10-8-17)37(25,33)34/h7-10,14,20-22,31H,3-6,11-13,15-16H2,1-2H3,(H,26,32)(H2,25,33,34)/t20-,21+,22+/m1/s1 | | Synonyms: | ~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide | | Definition date: | 2021-02-10 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | ~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide |
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 | | UDE | | Name: | 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide | | Formula: | C20 H24 N8 O7 S | | SMILES: | CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(CNC(=O)Nc4cccc(c4)[S](N)(=O)=O)nn3)C(=O)NC1=O | | InChi: | InChI=1S/C20H24N8O7S/c1-11-8-27(20(32)24-18(11)30)17-6-15(16(10-29)35-17)28-9-13(25-26-28)7-22-19(31)23-12-3-2-4-14(5-12)36(21,33)34/h2-5,8-9,15-17,29H,6-7,10H2,1H3,(H2,21,33,34)(H2,22,23,31)(H,24,30,32)/t15-,16+,17+/m0/s1 | | Synonyms: | 1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea | | Definition date: | 2021-02-10 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea |
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 | | CT6 | | Name: | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE | | Formula: | C18 H14 Br N5 | | SMILES: | Brc4cccc(c1nc3[n+](c(c1)NCc2ccncc2)ncc3)c4 | | InChi: | InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1 | | Definition date: | 2005-11-08 | | Last modified: | 2022-02-18 | | Identifier: | 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-pyrazolo[1,5-a]pyrimidin-8-ium |
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 | | 0QQ | | Name: | N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Formula: | C20 H20 F2 N4 O3 S | | SMILES: | C[CH]1SC(=N[C](C)([CH]1F)c2cc(NC(=O)c3cc4OCCOc4cn3)ccc2F)N | | InChi: | InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1 | | Definition date: | 2021-06-11 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | ~{N}-[3-[(4~{R},5~{R},6~{R})-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide |
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 | | KJL | | Name: | Archazolid A | | Formula: | C42 H62 N2 O7 S | | SMILES: | O=C(OC(CC(C)C)c1nc(cs1)C1OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC1C)NC | | InChi: | InChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-15,17-19,21-25,30,32-33,35-39,45-46H,16,20H2,1-12H3,(H,43,48)/b15-13+,19-17+,26-21-,27-23+,28-22-,29-14+,31-18+/t30-,32-,33-,35+,36+,37-,38+,39-/m0/s1 | | Synonyms: | (1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate | | Definition date: | 2022-02-03 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | (1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate |
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 | | 5OI | | Name: | (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine | | Formula: | C18 H22 N4 O | | SMILES: | CC(C)CC(N)c1nc(CC)c2cc(ccc2n1)c1cnco1 | | InChi: | InChI=1S/C18H22N4O/c1-4-15-13-8-12(17-9-20-10-23-17)5-6-16(13)22-18(21-15)14(19)7-11(2)3/h5-6,8-11,14H,4,7,19H2,1-3H3/t14-/m0/s1 | | Definition date: | 2021-07-21 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine |
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 | | 5P6 | | Name: | 2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile | | Formula: | C20 H20 N4 | | SMILES: | CC(C)CC(N)c1cc(C#N)c2cc(ccc2n1)c1ccncc1 | | InChi: | InChI=1S/C20H20N4/c1-13(2)9-18(22)20-11-16(12-21)17-10-15(3-4-19(17)24-20)14-5-7-23-8-6-14/h3-8,10-11,13,18H,9,22H2,1-2H3/t18-/m0/s1 | | Definition date: | 2021-07-21 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile |
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 | | 5QI | | Name: | N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide | | Formula: | C16 H19 F2 N3 O3 | | SMILES: | CC(C)CC(N)C(=O)Nc1cc(OC(F)F)c(cc1)c1cnco1 | | InChi: | InChI=1S/C16H19F2N3O3/c1-9(2)5-12(19)15(22)21-10-3-4-11(14-7-20-8-23-14)13(6-10)24-16(17)18/h3-4,6-9,12,16H,5,19H2,1-2H3,(H,21,22)/t12-/m1/s1 | | Definition date: | 2021-07-21 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide |
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 | | HWX | | Name: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid | | Formula: | C11 H20 N4 O6 | | SMILES: | C[CH](NC(=O)[CH](CCNCC(O)=O)NC(C)=O)C(=O)NO | | InChi: | InChI=1S/C11H20N4O6/c1-6(10(19)15-21)13-11(20)8(14-7(2)16)3-4-12-5-9(17)18/h6,8,12,21H,3-5H2,1-2H3,(H,13,20)(H,14,16)(H,15,19)(H,17,18)/t6-,8+/m1/s1 | | Definition date: | 2021-02-22 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid |
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 | | HX6 | | Name: | N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide | | Formula: | C14 H14 N2 O4 S | | SMILES: | N[S](=O)(=O)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1 | | InChi: | InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20) | | Definition date: | 2021-02-22 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | ~{N}-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide |
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 | | HX9 | | Name: | (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid | | Formula: | C14 H24 N4 O7 | | SMILES: | C[CH](NC(=O)[CH](CCC[CH](NC(C)=O)C(O)=O)NC(C)=O)C(=O)NO | | InChi: | InChI=1S/C14H24N4O7/c1-7(12(21)18-25)15-13(22)10(16-8(2)19)5-4-6-11(14(23)24)17-9(3)20/h7,10-11,25H,4-6H2,1-3H3,(H,15,22)(H,16,19)(H,17,20)(H,18,21)(H,23,24)/t7-,10+,11-/m1/s1 | | Definition date: | 2021-02-22 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid |
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 | | HXF | | Name: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid | | Formula: | C18 H26 N4 O6 | | SMILES: | C[CH](NC(=O)[CH](CCN(CC(O)=O)Cc1ccccc1)NC(C)=O)C(=O)NO | | InChi: | InChI=1S/C18H26N4O6/c1-12(17(26)21-28)19-18(27)15(20-13(2)23)8-9-22(11-16(24)25)10-14-6-4-3-5-7-14/h3-7,12,15,28H,8-11H2,1-2H3,(H,19,27)(H,20,23)(H,21,26)(H,24,25)/t12-,15+/m1/s1 | | Definition date: | 2021-02-22 | | Last modified: | 2022-02-18 | | Release date: | 2022-02-23 | | Identifier: | 2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid |
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