 | | IVG | | Name: | D-Xylose, 4-O-beta-D-xylopyranosyl- | | Formula: | C10 H18 O9 | | SMILES: | OC[CH](O[CH]1OC[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C=O | | InChi: | InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1 | | Synonyms: | Xylobiose | | Definition date: | 2022-04-14 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | (2~{R},3~{R},4~{R})-2,3,5-tris(oxidanyl)-4-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pentanal |
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 | | WUF | | Name: | benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron | | Formula: | C41 H39 Fe N4 O4 | | SMILES: | O=C(O)CCC1=C(C)C2=CC=3C(C=C)=C(C)C4=Cc5c(C=C)c(C)c6C=C7C(C)=C(CCC(=O)O)C=8C=C1N2[Fe](Cc1ccccc1)(n65)(N4=3)N7=8 | | InChi: | InChI=1S/C34H34N4O4.C7H7.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | | Definition date: | 2022-10-19 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron |
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 | | WUK | | Name: | methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate | | Formula: | C27 H29 N3 O5 | | SMILES: | O=C(OC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc2ccccc21 | | InChi: | InChI=1S/C27H29N3O5/c1-18(21-13-7-10-19-8-3-5-11-22(19)21)28-27(34)23-12-6-4-9-20(23)14-15-24(31)29-30-25(32)16-17-26(33)35-2/h3-13,18H,14-17H2,1-2H3,(H,28,34)(H,29,31)(H,30,32)/t18-/m1/s1 | | Definition date: | 2022-10-19 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate |
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 | | XBC | | Name: | Cruentaren A | | Formula: | C33 H51 N O8 | | SMILES: | CCCC(O)C(C)C(=O)NCC=C/CC(C)C(O)C(C)C1CC=CCC(C)C(O)Cc2cc(OC)cc(O)c2C(=O)O1 | | InChi: | InChI=1S/C33H51NO8/c1-7-12-26(35)22(4)32(39)34-16-11-10-14-21(3)31(38)23(5)29-15-9-8-13-20(2)27(36)18-24-17-25(41-6)19-28(37)30(24)33(40)42-29/h8-11,17,19-23,26-27,29,31,35-38H,7,12-16,18H2,1-6H3,(H,34,39)/b9-8-,11-10-/t20-,21+,22+,23+,26-,27+,29-,31+/m0/s1 | | Synonyms: | (2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyloct-2-en-1-yl}-3-hydroxy-2-methylhexanamide | | Definition date: | 2022-11-09 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | (2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyloct-2-en-1-yl}-3-hydroxy-2-methylhexanamide |
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 | | 9JT | | Name: | N-phenyl-2-selanylbenzamide | | Formula: | C13 H11 N O Se | | SMILES: | O=C(Nc1ccccc1)c1ccccc1[SeH] | | InChi: | InChI=1S/C13H11NOSe/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15) | | Synonyms: | ~{N}-phenyl-2-selanyl-benzamide | | Definition date: | 2017-05-26 | | Last modified: | 2023-03-30 | | Release date: | 2018-06-13 | | Identifier: | N-phenyl-2-selanylbenzamide |
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 | | ZJ8 | | Name: | 4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide | | Formula: | C13 H19 N3 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)NCCC)c1ccco1 | | InChi: | InChI=1S/C13H19N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h3-4,10H,2,5-9H2,1H3,(H,14,18) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide |
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 | | ZJE | | Name: | N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide | | Formula: | C15 H21 N3 O3 S | | SMILES: | O=C(N1CCN(CC1)C(=O)NCC1CCCO1)c1cccs1 | | InChi: | InChI=1S/C15H21N3O3S/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)/t12-/m0/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
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 | | ZJI | | Name: | N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C13 H17 N3 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)NC1CC1)c1ccco1 | | InChi: | InChI=1S/C13H17N3O3/c17-12(11-2-1-9-19-11)15-5-7-16(8-6-15)13(18)14-10-3-4-10/h1-2,9-10H,3-8H2,(H,14,18) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | ZJN | | Name: | (3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide | | Formula: | C27 H29 N5 O4 | | SMILES: | O=C(N1CCN(CC1)C(=O)NNC(=O)C1Cc2ccccc2CN1Cc1ccccc1)c1ccco1 | | InChi: | InChI=1S/C27H29N5O4/c33-25(28-29-27(35)31-14-12-30(13-15-31)26(34)24-11-6-16-36-24)23-17-21-9-4-5-10-22(21)19-32(23)18-20-7-2-1-3-8-20/h1-11,16,23H,12-15,17-19H2,(H,28,33)(H,29,35)/t23-/m0/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide |
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 | | ZJR | | Name: | 4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide | | Formula: | C13 H15 N3 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)NCC#C)c1ccco1 | | InChi: | InChI=1S/C13H15N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h1,3-4,10H,5-9H2,(H,14,18) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide |
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 | | ZJW | | Name: | N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide | | Formula: | C17 H24 N6 O2 S | | SMILES: | Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)NCCn1cnnc1CC | | InChi: | InChI=1S/C17H24N6O2S/c1-3-15-20-19-12-23(15)7-6-18-17(25)22-10-8-21(9-11-22)16(24)14-5-4-13(2)26-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,25) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide |
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 | | ZK0 | | Name: | N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide | | Formula: | C21 H30 N4 O2 | | SMILES: | O=C(NC(C)(C)C)N1CCN(CC1)C(=O)c1ccc2N=C(C)C(C)(C)c2c1 | | InChi: | InChI=1S/C21H30N4O2/c1-14-21(5,6)16-13-15(7-8-17(16)22-14)18(26)24-9-11-25(12-10-24)19(27)23-20(2,3)4/h7-8,13H,9-12H2,1-6H3,(H,23,27) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide |
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 | | ZK6 | | Name: | 4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide | | Formula: | C16 H17 N3 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)Nc1ccccc1)c1ccco1 | | InChi: | InChI=1S/C16H17N3O3/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide |
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 | | ZKC | | Name: | tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate | | Formula: | C22 H28 N4 O5 | | SMILES: | O=C(N1CCN(CC1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccco1 | | InChi: | InChI=1S/C22H28N4O5/c1-22(2,3)31-21(29)24-17-7-4-6-16(14-17)15-23-20(28)26-11-9-25(10-12-26)19(27)18-8-5-13-30-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,28)(H,24,29) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate |
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 | | ZKH | | Name: | N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide | | Formula: | C13 H19 N3 O3 S | | SMILES: | O=C(N1CCN(CC1)C(=O)NCCOC)c1cccs1 | | InChi: | InChI=1S/C13H19N3O3S/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-10-20-11/h2-3,10H,4-9H2,1H3,(H,14,18) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
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 | | ZKL | | Name: | (2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide | | Formula: | C15 H23 N3 O3 | | SMILES: | O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1 | | InChi: | InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-9-8-17(11-12(18)2)14(19)13-6-5-10-21-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide |
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 | | ZKQ | | Name: | N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C16 H16 F N3 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)Nc1ccccc1F)c1ccco1 | | InChi: | InChI=1S/C16H16FN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | ZKU | | Name: | 4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide | | Formula: | C15 H16 N4 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1 | | InChi: | InChI=1S/C15H16N4O3/c20-14(12-4-3-11-22-12)18-7-9-19(10-8-18)15(21)17-13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,16,17,21) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide |
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 | | ZKZ | | Name: | N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide | | Formula: | C18 H21 N3 O4 | | SMILES: | CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc2)o1 | | InChi: | InChI=1S/C18H21N3O4/c1-19-18(23)21-11-9-20(10-12-21)17(22)16-8-7-15(25-16)13-24-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,19,23) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide |
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 | | ZL3 | | Name: | (3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide | | Formula: | C14 H21 N3 O3 | | SMILES: | O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1 | | InChi: | InChI=1S/C14H21N3O3/c1-10(2)15-14(19)16-6-7-17(11(3)9-16)13(18)12-5-4-8-20-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide |
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 | | ZL8 | | Name: | 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide | | Formula: | C23 H27 Cl N4 O3 S | | SMILES: | Clc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)NCCC(=O)N1CCc2sccc2C1 | | InChi: | InChI=1S/C23H27ClN4O3S/c24-19-4-1-3-17(15-19)22(30)26-9-2-10-27(13-12-26)23(31)25-8-5-21(29)28-11-6-20-18(16-28)7-14-32-20/h1,3-4,7,14-15H,2,5-6,8-13,16H2,(H,25,31) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide |
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 | | YX5 | | Name: | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide | | Formula: | C19 H22 N6 O3 S | | SMILES: | O=C(Cc1ccc(NS(=O)(=O)CC)cc1)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C19H22N6O3S/c1-2-29(27,28)23-16-5-3-15(4-6-16)13-19(26)25-11-9-24(10-12-25)18-8-7-17(14-20)21-22-18/h3-8,23H,2,9-13H2,1H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide |
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 | | ZLC | | Name: | 4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide | | Formula: | C16 H19 N3 O3 S | | SMILES: | O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1ccc(C)o1 | | InChi: | InChI=1S/C16H19N3O3S/c1-12-4-5-14(22-12)15(20)18-6-8-19(9-7-18)16(21)17-11-13-3-2-10-23-13/h2-5,10H,6-9,11H2,1H3,(H,17,21) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide |
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 | | ZLH | | Name: | (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide | | Formula: | C15 H21 N3 O3 | | SMILES: | O=C(N1CCN(C(=O)NCC2CC2)C(C)C1)c1ccco1 | | InChi: | InChI=1S/C15H21N3O3/c1-11-10-17(14(19)13-3-2-8-21-13)6-7-18(11)15(20)16-9-12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,20)/t11-/m0/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide |
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 | | ZLW | | Name: | N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C12 H18 N4 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)NCCN)c1ccco1 | | InChi: | InChI=1S/C12H18N4O3/c13-3-4-14-12(18)16-7-5-15(6-8-16)11(17)10-2-1-9-19-10/h1-2,9H,3-8,13H2,(H,14,18) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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