 | | JFC | | Name: | ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Formula: | C22 H25 N3 O3 | | SMILES: | CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4 | | InChi: | InChI=1S/C22H25N3O3/c1-2-28-22(26)21-16-19-15-18(17-5-7-23-8-6-17)3-4-20(19)25(21)10-9-24-11-13-27-14-12-24/h3-8,15-16H,2,9-14H2,1H3 | | Definition date: | 2022-04-26 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate |
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 | | JK9 | | Name: | 4-(4-methoxyphenyl)pyridine | | Formula: | C12 H11 N O | | SMILES: | COc1ccc(cc1)c2ccncc2 | | InChi: | InChI=1S/C12H11NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3 | | Definition date: | 2022-05-03 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | 4-(4-methoxyphenyl)pyridine |
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 | | JUR | | Name: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide | | Formula: | C20 H23 N5 O | | SMILES: | NC(=O)c1cc2cc(ccc2n1CCN3CCNCC3)c4ccncc4 | | InChi: | InChI=1S/C20H23N5O/c21-20(26)19-14-17-13-16(15-3-5-22-6-4-15)1-2-18(17)25(19)12-11-24-9-7-23-8-10-24/h1-6,13-14,23H,7-12H2,(H2,21,26) | | Definition date: | 2022-05-09 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide |
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 | | JV3 | | Name: | methyl 3-pyridin-4-ylbenzoate | | Formula: | C13 H11 N O2 | | SMILES: | COC(=O)c1cccc(c1)c2ccncc2 | | InChi: | InChI=1S/C13H11NO2/c1-16-13(15)12-4-2-3-11(9-12)10-5-7-14-8-6-10/h2-9H,1H3 | | Definition date: | 2022-05-09 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | methyl 3-pyridin-4-ylbenzoate |
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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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 | | O6F | | Name: | N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide | | Formula: | C26 H33 N3 O3 S | | SMILES: | CCN(C(=O)c1nc(c2sccc2)c3n1CCc4cc(OC)c(OC(C)C)cc34)C(C)(C)C | | InChi: | InChI=1S/C26H33N3O3S/c1-8-29(26(4,5)6)25(30)24-27-22(21-10-9-13-33-21)23-18-15-20(32-16(2)3)19(31-7)14-17(18)11-12-28(23)24/h9-10,13-16H,8,11-12H2,1-7H3 | | Definition date: | 2023-01-25 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | ~{N}-~{tert}-butyl-~{N}-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide |
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 | | ND6 | | Name: | 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile | | Formula: | C20 H23 N5 O2 | | SMILES: | O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C20H23N5O2/c1-15(14-26)17-4-2-16(3-5-17)12-20(27)25-10-8-24(9-11-25)19-7-6-18(13-21)22-23-19/h2-7,15,26H,8-12,14H2,1H3/t15-/m0/s1 | | Definition date: | 2022-03-31 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile |
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 | | K3I | | Name: | Zeaxanthin | | Formula: | C40 H56 O2 | | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C | | InChi: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11?,17-13+,18-14?,23-21+,24-22?,29-15+,30-16?,31-19+,32-20?/t35-,36?/m0/s1 | | Synonyms: | zeaxanthin | | Definition date: | 2022-05-18 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol |
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 | | K3X | | Name: | [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | Formula: | C29 H28 F N5 O | | SMILES: | Cc1n2ccc(cc2nc1c3cc4ccccc4n3Cc5ccc(F)cc5)C(=O)N6CCC[CH](N)C6 | | InChi: | InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1 | | Definition date: | 2022-09-07 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone |
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 | | NE3 | | Name: | 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile | | Formula: | C20 H20 F N5 O | | SMILES: | O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C20H20FN5O/c21-18-11-14(1-5-17(18)15-2-3-15)12-20(27)26-9-7-25(8-10-26)19-6-4-16(13-22)23-24-19/h1,4-6,11,15H,2-3,7-10,12H2 | | Definition date: | 2022-04-01 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile |
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 | | ZIM | | Name: | N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C16 H16 Cl N3 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1 | | InChi: | InChI=1S/C16H16ClN3O3/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: | 2023-03-13 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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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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 | | P2V | | Name: | ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | | Formula: | C26 H30 N6 S | | SMILES: | CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC5CCNCC5)nc12 | | InChi: | InChI=1S/C26H30N6S/c1-17(2)22-23-24(32-31-22)25(30-26(29-23)33-20-12-14-27-15-13-20)28-16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,27H,12-16H2,1-2H3,(H,31,32)(H,28,29,30) | | Definition date: | 2022-09-29 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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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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 | | O93 | | Name: | 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | | Formula: | C12 H27 B N2 O5 | | SMILES: | CN(C)C[CH]1CC[CH](CC[B](O)(O)[OH2+])C[C]1(N)C(O)=O | | InChi: | InChI=1S/C12H27BN2O5/c1-15(2)8-10-4-3-9(5-6-13(18,19)20)7-12(10,14)11(16)17/h9-10,18-19H,3-8,14,20H2,1-2H3,(H,16,17)/q+1/t9-,10-,12+/m0/s1 | | Definition date: | 2022-08-30 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-oxidaniumyl-bis(oxidanyl)boron |
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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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