 | | UID | | Name: | ethyl (E)-3-(4-aminophenyl)prop-2-enoate | | Formula: | C11 H13 N O2 | | SMILES: | CCOC(=O)C=Cc1ccc(N)cc1 | | InChi: | InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+ | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ethyl (~{E})-3-(4-aminophenyl)prop-2-enoate |
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 | | UIS | | Name: | N-[3-(diethylamino)phenyl]ethanamide | | Formula: | C12 H18 N2 O | | SMILES: | CCN(CC)c1cccc(NC(C)=O)c1 | | InChi: | InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15) | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ~{N}-[3-(diethylamino)phenyl]ethanamide |
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 | | UIV | | Name: | ~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide | | Formula: | C13 H21 N3 O | | SMILES: | Cn1cc(CN(C)C(=O)C2CCCCC2)cn1 | | InChi: | InChI=1S/C13H21N3O/c1-15(9-11-8-14-16(2)10-11)13(17)12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3 | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide |
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 | | UK6 | | Name: | sclareol | | Formula: | C20 H36 O2 | | SMILES: | CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[C](C)(O)C=C | | InChi: | InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1 | | Synonyms: | (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (1~{R},2~{R},4~{a}~{S},8~{a}~{S})-2,5,5,8~{a}-tetramethyl-1-[(3~{R})-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-2-ol |
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 | | ULC | | Name: | ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate | | Formula: | C18 H20 N2 O2 S | | SMILES: | COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2 | | InChi: | InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3 | | Definition date: | 2023-02-07 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate |
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 | | ULR | | Name: | 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide | | Formula: | C20 H23 F N6 O | | SMILES: | CC[CH]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)nc4cn3 | | InChi: | InChI=1S/C20H23FN6O/c1-3-14-11-26(7-6-22-14)15-4-5-16(17(21)8-15)20(28)25-18-12-27-10-13(2)24-19(27)9-23-18/h4-5,8-10,12,14,22H,3,6-7,11H2,1-2H3,(H,25,28)/t14-/m0/s1 | | Synonyms: | SMN-CY | | Definition date: | 2023-02-07 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide |
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 | | I0B | | Name: | 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine | | Formula: | C30 H38 Br N11 O4 | | SMILES: | Brc1cccc(c1)NC(=N)NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C30H38BrN11O4/c31-20-8-4-9-21(14-20)40-29(33)34-10-5-12-41(13-11-35-30(45)36-15-19-6-2-1-3-7-19)16-22-24(43)25(44)28(46-22)42-18-39-23-26(32)37-17-38-27(23)42/h1-4,6-9,14,17-18,22,24-25,28,43-44H,5,10-13,15-16H2,(H2,32,37,38)(H3,33,34,40)(H2,35,36,45)/t22-,24-,25-,28-/m1/s1 | | Definition date: | 2023-05-01 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine |
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 | | VP1 | | Name: | Fluorenylmethyloxycarbonyl chloride | | Formula: | C15 H11 Cl O2 | | SMILES: | ClC(=O)OCC1c2ccccc2c3ccccc13 | | InChi: | InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2 | | Definition date: | 2023-03-22 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 9~{H}-fluoren-9-ylmethyl carbonochloridate |
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 | | WC9 | | Name: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) | | Formula: | C25 H42 N2 O6 S | | SMILES: | CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(SCCC=CC1C)C(O)C(O)C2O | | InChi: | InChI=1S/C25H42N2O6S/c1-13(2)10-15-7-8-32-22-16(11-15)12-26-18(22)24(31)27-17-14(3)6-4-5-9-34-25-21(30)19(28)20(29)23(17)33-25/h4,6,13-23,25-26,28-30H,5,7-12H2,1-3H3,(H,27,31)/b6-4-/t14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,25-/m1/s1 | | Definition date: | 2023-09-29 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) |
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 | | WG5 | | Name: | 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid | | Formula: | C18 H10 F3 N O3 S2 | | SMILES: | S=C1SC(=C/c2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F | | InChi: | InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8- | | Definition date: | 2023-10-03 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid |
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 | | UZX | | Name: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide | | Formula: | C14 H11 Cl2 N3 O2 | | SMILES: | NC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2 | | InChi: | InChI=1S/C14H11Cl2N3O2/c15-8-5-9(16)7-10(6-8)18-14(21)19-12-4-2-1-3-11(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21) | | Definition date: | 2023-02-17 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide |
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 | | V0F | | Name: | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione | | Formula: | C18 H23 N O4 | | SMILES: | C[CH]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)N1 | | InChi: | InChI=1S/C18H23NO4/c1-12-6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)19-12/h3,7,10-12,21-22H,2,4-6,8-9H2,1H3,(H,19,23)/b7-3+/t12-/m0/s1 | | Definition date: | 2023-02-20 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione |
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 | | WOX | | Name: | (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one | | Formula: | C19 H18 F2 N2 O2 S | | SMILES: | Cc1ccsc1C2=NO[C]3(CCCN(Cc4c(F)cccc4F)C3=O)C2 | | InChi: | InChI=1S/C19H18F2N2O2S/c1-12-6-9-26-17(12)16-10-19(25-22-16)7-3-8-23(18(19)24)11-13-14(20)4-2-5-15(13)21/h2,4-6,9H,3,7-8,10-11H2,1H3/t19-/m0/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one |
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 | | WP2 | | Name: | (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one | | Formula: | C18 H16 F2 N2 O2 S | | SMILES: | Cc1ccsc1C2=NO[C]3(CCN(Cc4c(F)cccc4F)C3=O)C2 | | InChi: | InChI=1S/C18H16F2N2O2S/c1-11-5-8-25-16(11)15-9-18(24-21-15)6-7-22(17(18)23)10-12-13(19)3-2-4-14(12)20/h2-5,8H,6-7,9-10H2,1H3/t18-/m0/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one |
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 | | XXN | | Name: | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one | | Formula: | C8 H5 Cl2 N O2 | | SMILES: | Clc1ccc(Cl)c2c1NC(=O)C2O | | InChi: | InChI=1S/C8H5Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13)/t7-/m0/s1 | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one |
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 | | XZ6 | | Name: | 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one | | Formula: | C8 H9 N2 O2 S | | SMILES: | Cc1csc2N=C(CO)CC(=O)[n]12 | | InChi: | InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3 | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
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 | | XZE | | Name: | (pyridin-2-yl)(quinolin-2-yl)methanone | | Formula: | C15 H10 N2 O | | SMILES: | O=C(c1ccc2ccccc2n1)c1ccccn1 | | InChi: | InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | (pyridin-2-yl)(quinolin-2-yl)methanone |
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 | | ZL6 | | Name: | 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid | | Formula: | C28 H33 N3 O3 | | SMILES: | CCc1cc(cc(CC)c1Nc2cccc(CN3CCCOCC3)c2C(O)=O)c4ccncc4 | | InChi: | InChI=1S/C28H33N3O3/c1-3-20-17-24(22-9-11-29-12-10-22)18-21(4-2)27(20)30-25-8-5-7-23(26(25)28(32)33)19-31-13-6-15-34-16-14-31/h5,7-12,17-18,30H,3-4,6,13-16,19H2,1-2H3,(H,32,33) | | Definition date: | 2023-03-30 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid |
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 | | XZI | | Name: | N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide | | Formula: | C14 H15 N O2 | | SMILES: | CN(C)C(=O)COc1ccc2ccccc2c1 | | InChi: | InChI=1S/C14H15NO2/c1-15(2)14(16)10-17-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3 | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide |
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 | | XZO | | Name: | 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione | | Formula: | C10 H7 Cl2 N O2 | | SMILES: | Clc1cc(Cl)cc(c1)N1C(=O)CCC1=O | | InChi: | InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2 | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione |
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 | | XZT | | Name: | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione | | Formula: | C10 H7 F2 N O2 | | SMILES: | Fc1cc(F)c(cc1)N1C(=O)CCC1=O | | InChi: | InChI=1S/C10H7F2NO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2 | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione |
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 | | XZX | | Name: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide | | Formula: | C9 H9 Cl2 N O2 | | SMILES: | Clc1cc(NC(=O)C(C)O)cc(Cl)c1 | | InChi: | InChI=1S/C9H9Cl2NO2/c1-5(13)9(14)12-8-3-6(10)2-7(11)4-8/h2-5,13H,1H3,(H,12,14)/t5-/m0/s1 | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide |
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 | | Y0C | | Name: | (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one | | Formula: | C9 H8 F N O S | | SMILES: | O=C1NC(SC1)c1ccccc1F | | InChi: | InChI=1S/C9H8FNOS/c10-7-4-2-1-3-6(7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)/t9-/m0/s1 | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one |
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 | | Y0H | | Name: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine | | Formula: | C10 H10 Cl N3 | | SMILES: | Cn1nc(cc1N)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3 | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine |
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 | | Y0L | | Name: | N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide | | Formula: | C16 H15 N O2 | | SMILES: | O=C(NCc1cc2CCOc2cc1)c1ccccc1 | | InChi: | InChI=1S/C16H15NO2/c18-16(13-4-2-1-3-5-13)17-11-12-6-7-15-14(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18) | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide |
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