| KID | Name: | 2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one | Formula: | C20 H23 Cl2 N5 O | SMILES: | CN1C(=O)c2n(ccc2c3cccc(Cl)c3Cl)N=C1N4CCC(C)(CN)CC4 | InChi: | InChI=1S/C20H23Cl2N5O/c1-20(12-23)7-10-26(11-8-20)19-24-27-9-6-14(17(27)18(28)25(19)2)13-4-3-5-15(21)16(13)22/h3-6,9H,7-8,10-12,23H2,1-2H3 | Definition date: | 2022-09-21 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one |
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| KJ0 | Name: | N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide | Formula: | C30 H40 N4 O6 | SMILES: | O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NC5CC5 | InChi: | InChI=1S/C30H40N4O6/c35-26(30(39)32-21-12-13-21)22(16-20-10-6-14-31-27(20)36)33-28(37)23(15-18-7-2-1-3-8-18)34-29(38)25-17-19-9-4-5-11-24(19)40-25/h4-5,9,11,17-18,20-23,26,35H,1-3,6-8,10,12-16H2,(H,31,36)(H,32,39)(H,33,37)(H,34,38)/t20-,22-,23-,26-/m0/s1 | Definition date: | 2022-09-22 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | ~{N}-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{S})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide |
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| WHQ | Name: | (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide | Formula: | C21 H18 Cl F N4 O2 S | SMILES: | Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC)c2cc1COC | InChi: | InChI=1S/C21H18ClFN4O2S/c1-24-21(28)19-8-14(11-30-19)27-18-7-13(10-29-2)17(6-12(18)9-25-27)26-20-15(22)4-3-5-16(20)23/h3-9,11,26H,10H2,1-2H3,(H,24,28) | Definition date: | 2022-09-09 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide |
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| XE6 | Name: | 4-amino-1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one | Formula: | C10 H16 N3 O8 P | SMILES: | O=P(O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(OC)C1O | InChi: | InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m0/s1 | Definition date: | 2022-11-14 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 4-amino-1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one |
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| ZI9 | Name: | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide | Formula: | C16 H9 F2 N3 O2 S | SMILES: | NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F | InChi: | InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22) | Definition date: | 2023-01-05 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide |
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| WKZ | Name: | (4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide | Formula: | C27 H25 N5 O3 S | SMILES: | O=C1SCCN1C(=O)CCc1ccc(c2ccc(cc2)n2ccnc2)n1c1ccc(cc1C)C(N)=O | InChi: | InChI=1S/C27H25N5O3S/c1-18-16-20(26(28)34)4-9-23(18)32-22(8-11-25(33)31-14-15-36-27(31)35)7-10-24(32)19-2-5-21(6-3-19)30-13-12-29-17-30/h2-7,9-10,12-13,16-17H,8,11,14-15H2,1H3,(H2,28,34) | Definition date: | 2022-09-22 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide |
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| KNF | Name: | Olorinab | Formula: | C18 H23 N5 O3 | SMILES: | CC(C)(C)[CH](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3[CH]4C[CH]4Cc13 | InChi: | InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1 | Synonyms: | (2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanylpyrazin-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide | Definition date: | 2022-10-03 | Last modified: | 2023-09-15 | Release date: | 2023-05-10 | Identifier: | (2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanidylpyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide |
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| V8R | Name: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid | Formula: | C22 H22 N2 O6 | SMILES: | O[CH]1[CH](O)[CH](n2cc(CCc3cccc(Oc4ccccc4)c3)nc2[CH]1O)C(O)=O | InChi: | InChI=1S/C22H22N2O6/c25-18-17(22(28)29)24-12-14(23-21(24)20(27)19(18)26)10-9-13-5-4-8-16(11-13)30-15-6-2-1-3-7-15/h1-8,11-12,17-20,25-27H,9-10H2,(H,28,29)/t17-,18+,19-,20+/m0/s1 | Definition date: | 2023-07-10 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid |
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| KOX | Name: | 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one | Formula: | C11 H9 Cl N2 O S | SMILES: | Clc1ccccc1CSC2=NC(=O)N=CC2 | InChi: | InChI=1S/C11H9ClN2OS/c12-9-4-2-1-3-8(9)7-16-10-5-6-13-11(15)14-10/h1-4,6H,5,7H2 | Definition date: | 2022-06-01 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one |
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| ZLE | Name: | ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide | Formula: | C14 H15 N3 O | SMILES: | CCC(=O)Nc1cccc(c1)c2ccnc(N)c2 | InChi: | InChI=1S/C14H15N3O/c1-2-14(18)17-12-5-3-4-10(8-12)11-6-7-16-13(15)9-11/h3-9H,2H2,1H3,(H2,15,16)(H,17,18) | Definition date: | 2023-06-28 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide |
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| KYR | Name: | 4-(4-methylphenyl)-1~{H}-quinazolin-2-one | Formula: | C15 H12 N2 O | SMILES: | Cc1ccc(cc1)C2=NC(=O)Nc3ccccc23 | InChi: | InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15(18)17-14/h2-9H,1H3,(H,16,17,18) | Definition date: | 2022-06-07 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 4-(4-methylphenyl)-1~{H}-quinazolin-2-one |
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| LFI | Name: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one | Formula: | C12 H18 Br3 N3 O3 | SMILES: | BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr | InChi: | InChI=1S/C12H18Br3N3O3/c13-4-1-10(19)16-7-17(11(20)2-5-14)9-18(8-16)12(21)3-6-15/h1-9H2 | Synonyms: | Chemical crosslinker | Definition date: | 2022-07-01 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one |
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| M79 | Name: | 2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide | Formula: | C18 H26 Cl N3 O2 | SMILES: | CC(C)(Nc1ccccc1)C(=O)N2CCC(CC2)CNC(=O)CCl | InChi: | InChI=1S/C18H26ClN3O2/c1-18(2,21-15-6-4-3-5-7-15)17(24)22-10-8-14(9-11-22)13-20-16(23)12-19/h3-7,14,21H,8-13H2,1-2H3,(H,20,23) | Definition date: | 2022-07-25 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide |
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| MRF | Name: | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C20 H27 Cl2 N3 O3 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Oc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26) | Definition date: | 2022-08-04 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| MU9 | Name: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C21 H27 Cl2 F2 N3 O2 | SMILES: | FC1(F)CCC(CC1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl | InChi: | InChI=1S/C21H27Cl2F2N3O2/c22-13-18(29)26-14-15-5-11-28(12-6-15)19(30)20(7-9-21(24,25)10-8-20)27-17-3-1-16(23)2-4-17/h1-4,15,27H,5-14H2,(H,26,29) | Definition date: | 2022-08-04 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| MV3 | Name: | 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C21 H29 Cl2 N3 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C21H30ClN3O2/c1-16(26)23-15-17-9-13-25(14-10-17)20(27)21(11-3-2-4-12-21)24-19-7-5-18(22)6-8-19/h5-8,17,24H,2-4,9-15H2,1H3,(H,23,26) | Definition date: | 2022-08-04 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| MVU | Name: | 2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C21 H30 Cl N3 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccccc3 | InChi: | InChI=1S/C21H31N3O2/c1-17(25)22-16-18-10-14-24(15-11-18)20(26)21(12-6-3-7-13-21)23-19-8-4-2-5-9-19/h2,4-5,8-9,18,23H,3,6-7,10-16H2,1H3,(H,22,25) | Definition date: | 2022-08-04 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide |
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| O0O | Name: | 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C20 H28 Cl2 N4 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H28Cl2N4O2/c21-13-18(27)24-14-15-5-11-26(12-6-15)19(28)20(7-9-23-10-8-20)25-17-3-1-16(22)2-4-17/h1-4,15,23,25H,5-14H2,(H,24,27) | Definition date: | 2022-08-25 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| O2X | Name: | ~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide | Formula: | C23 H31 Cl2 N3 O3 | SMILES: | ClCC(=O)N1CCC2(CC1)CC(CNC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C2 | InChi: | InChI=1S/C23H31Cl2N3O3/c24-15-20(29)28-9-5-22(6-10-28)13-17(14-22)16-26-21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,30) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | ~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide |
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| O3F | Name: | 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide | Formula: | C23 H31 Cl2 N3 O3 | SMILES: | ClCC(=O)NCC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1 | InChi: | InChI=1S/C23H31Cl2N3O3/c24-15-20(29)26-16-17-13-22(14-17)5-9-28(10-6-22)21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,29) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide |
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| O3O | Name: | 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide | Formula: | C21 H30 Cl2 N4 O2 | SMILES: | ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C21H30Cl2N4O2/c22-15-19(28)25-10-5-16-6-13-27(14-7-16)20(29)21(8-11-24-12-9-21)26-18-3-1-17(23)2-4-18/h1-4,16,24,26H,5-15H2,(H,25,28) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide |
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| O3T | Name: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C21 H26 Cl2 F2 N2 O3 | SMILES: | FC1(F)CCC(CC1)(Oc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl | InChi: | InChI=1S/C21H26Cl2F2N2O3/c22-13-18(28)26-14-15-5-11-27(12-6-15)19(29)20(7-9-21(24,25)10-8-20)30-17-3-1-16(23)2-4-17/h1-4,15H,5-14H2,(H,26,28) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| O49 | Name: | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C20 H26 Cl2 N2 O4 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Oc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H26Cl2N2O4/c21-13-18(25)23-14-15-5-9-24(10-6-15)19(26)20(7-11-27-12-8-20)28-17-3-1-16(22)2-4-17/h1-4,15H,5-14H2,(H,23,25) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| O4I | Name: | 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide | Formula: | C18 H24 Cl2 N2 O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl | InChi: | InChI=1S/C18H24Cl2N2O3/c1-18(2,25-15-5-3-14(20)4-6-15)17(24)22-9-7-13(8-10-22)12-21-16(23)11-19/h3-6,13H,7-12H2,1-2H3,(H,21,23) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide |
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| O5I | Name: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C20 H27 Cl2 N3 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H27Cl2N3O2/c21-13-18(26)23-14-15-7-11-25(12-8-15)19(27)20(9-1-2-10-20)24-17-5-3-16(22)4-6-17/h3-6,15,24H,1-2,7-14H2,(H,23,26) | Definition date: | 2022-08-30 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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