| QYZ | Name: | (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one | Formula: | C14 H11 N O2 | SMILES: | Cc1oc(cc1)C=C2C(=O)Nc3ccccc23 | InChi: | InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+ | Definition date: | 2020-08-21 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one |
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| QZ2 | Name: | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid | Formula: | C8 H8 N4 O2 | SMILES: | Cn1cc(cn1)c2cc([nH]n2)C(O)=O | InChi: | InChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)6-2-7(8(13)14)11-10-6/h2-4H,1H3,(H,10,11)(H,13,14) | Definition date: | 2020-08-21 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid |
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| QZW | Name: | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine | Formula: | C17 H15 N5 O S | SMILES: | Cc1nc2[nH]cc(c3ccnc(N)c3)c2c(OCc4cscc4)n1 | InChi: | InChI=1S/C17H15N5OS/c1-10-21-16-15(17(22-10)23-8-11-3-5-24-9-11)13(7-20-16)12-2-4-19-14(18)6-12/h2-7,9H,8H2,1H3,(H2,18,19)(H,20,21,22) | Definition date: | 2020-08-24 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine |
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| R05 | Name: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Formula: | C19 H16 F2 N6 | SMILES: | Cc1nc(NCc2c(F)cccc2F)c3c([nH]cc3c4ccnc(N)c4)n1 | InChi: | InChI=1S/C19H16F2N6/c1-10-26-18-17(12(8-24-18)11-5-6-23-16(22)7-11)19(27-10)25-9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H2,22,23)(H2,24,25,26,27) | Definition date: | 2020-08-24 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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| Q65 | Name: | (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol | Formula: | C26 H37 B F2 N5 O4 | SMILES: | C[CH]1CC(=C2[CH](CCCCc3cn(C[CH]4[CH](O)[CH](O)[CH](O)[CH]5O[CH]45)nn3)c6n(c(C)cc6C)[B](F)(F)N12)C | InChi: | InChI=1S/C26H37BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9,11,16,18-19,22-26,35-37H,5-8,10,12H2,1-4H3/t16-,18+,19-,22-,23+,24-,25-,26+/m1/s1 | Definition date: | 2020-05-20 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
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| Q68 | Name: | ~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide | Formula: | C18 H33 N5 O4 | SMILES: | CCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1Cn2cc(CNC(C)=O)nn2 | InChi: | InChI=1S/C18H33N5O4/c1-3-4-5-6-7-19-15-8-16(25)18(27)17(26)14(15)11-23-10-13(21-22-23)9-20-12(2)24/h10,14-19,25-27H,3-9,11H2,1-2H3,(H,20,24)/t14-,15-,16-,17+,18+/m0/s1 | Definition date: | 2020-05-21 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | ~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide |
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| 7RC | Name: | (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid | Formula: | C8 H17 N2 O5 P | SMILES: | OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1 | InChi: | InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1 | Definition date: | 2021-04-23 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | (2~{R})-4-(3-phosphonopropyl)piperazine-2-carboxylic acid |
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| S8Q | Name: | 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone | Formula: | C22 H32 N2 O5 | SMILES: | COc1ccc(cc1OC2CCCC2)C(C)=NOCC(=O)N3C[CH](C)O[CH](C)C3 | InChi: | InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-/t15-,16-/m0/s1 | Definition date: | 2020-11-11 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone |
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| S9W | Name: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide | Formula: | C25 H30 Br N3 O3 | SMILES: | Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1 | InChi: | InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31) | Definition date: | 2020-11-13 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide |
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| S9Z | Name: | ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide | Formula: | C25 H30 Br N3 O3 | SMILES: | CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3 | InChi: | InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32) | Definition date: | 2020-11-13 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide |
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| UJQ | Name: | 9~{H}-xanthene-9-carboxylic acid | Formula: | C14 H10 O3 | SMILES: | OC(=O)C1c2ccccc2Oc3ccccc13 | InChi: | InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16) | Definition date: | 2021-02-25 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 9~{H}-xanthene-9-carboxylic acid |
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| UJZ | Name: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole | Formula: | C8 H4 Br F3 N2 | SMILES: | FC(F)(F)c1cc(Br)c2nc[nH]c2c1 | InChi: | InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14) | Definition date: | 2021-02-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole |
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| UK2 | Name: | (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron | Formula: | C7 H8 B N O4 | SMILES: | Cc1ccc(cc1[N+]([O-])=O)B(O)O | InChi: | InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3 | Definition date: | 2021-02-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | (4-methyl-3-nitro-phenyl)boronic acid |
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| UKE | Name: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid | Formula: | C9 H7 N O4 | SMILES: | COc1ccc2oc(nc2c1)C(O)=O | InChi: | InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12) | Synonyms: | 5-Methoxybenzo[d]oxazole-2-carboxylic acid | Definition date: | 2021-02-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid |
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| UKH | Name: | p-nitrophenylboronic acid | Formula: | C6 H6 B N O4 | SMILES: | OB(O)c1ccc(cc1)[N+]([O-])=O | InChi: | InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H | Synonyms: | (4-nitrophenyl)boronic acid | Definition date: | 2021-02-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | (4-nitrophenyl)boronic acid |
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| UKK | Name: | 6-phenoxy-3-pyridinamine | Formula: | C11 H10 N2 O | SMILES: | Nc1ccc(Oc2ccccc2)nc1 | InChi: | InChI=1S/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2 | Synonyms: | 6-phenoxypyridin-3-amine | Definition date: | 2021-02-27 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 6-phenoxypyridin-3-amine |
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| UMH | Name: | 6-methoxyquinoline-3-carboxylic acid | Formula: | C11 H9 N O3 | SMILES: | COc1ccc2ncc(cc2c1)C(O)=O | InChi: | InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-12-10)11(13)14/h2-6H,1H3,(H,13,14) | Definition date: | 2021-03-02 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 6-methoxyquinoline-3-carboxylic acid |
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| UOK | Name: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile | Formula: | C11 H10 N2 O | SMILES: | COc1ccc2[nH]cc(CC#N)c2c1 | InChi: | InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3 | Definition date: | 2021-03-03 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile |
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| J86 | Name: | [(1S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid | Formula: | C11 H13 Br N3 O5 P | SMILES: | C[CH](NCc1cc(Br)cc2NC(=O)C(=O)Nc12)[P](O)(O)=O | InChi: | InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1 | Definition date: | 2021-04-23 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | [(1~{S})-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid |
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| JGW | Name: | 2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one | Formula: | C24 H18 F3 N O2 | SMILES: | CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | InChi: | InChI=1S/C24H18F3NO2/c1-15-22(23(29)20-4-2-3-5-21(20)28-15)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1 | Definition date: | 2019-02-25 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one |
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| JHB | Name: | 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one | Formula: | C24 H17 Cl F3 N O2 | SMILES: | CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | InChi: | InChI=1S/C24H17ClF3NO2/c1-14-22(29-21-13-18(25)8-11-20(21)23(14)30)17-6-2-15(3-7-17)12-16-4-9-19(10-5-16)31-24(26,27)28/h2-11,13H,12H2,1H3,(H,29,30) | Definition date: | 2019-02-25 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one |
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| JHE | Name: | 3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one | Formula: | C24 H18 F3 N O3 | SMILES: | CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | InChi: | InChI=1S/C24H18F3NO3/c1-15-22(28(30)21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)31-24(25,26)27/h2-13,30H,14H2,1H3 | Definition date: | 2019-02-25 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one |
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| V4V | Name: | 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | Formula: | C23 H22 N4 O | SMILES: | c4(N)ccc1c(cc(cc1)COc2cc(ccc2)CNCc3ccccn3)n4 | InChi: | InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27) | Definition date: | 2020-06-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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| V4Y | Name: | 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | Formula: | C25 H27 N5 O | SMILES: | c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N | InChi: | InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30) | Definition date: | 2020-06-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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| V54 | Name: | 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | Formula: | C23 H23 N5 O | SMILES: | c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N | InChi: | InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28) | Definition date: | 2020-06-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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