 | | V57 | | Name: | 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C24 H24 N4 O | | SMILES: | c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N | | InChi: | InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V5D | | Name: | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C26 H29 N5 O | | SMILES: | c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N | | InChi: | InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V5G | | Name: | 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine | | Formula: | C23 H22 N4 O | | SMILES: | c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N | | InChi: | InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine |
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 | | YSG | | Name: | 5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione | | Formula: | C23 H19 Cl N4 O4 | | SMILES: | O=C1NC=C(C2=CN(c3cnccc3)C(=O)C(=C2)c2cc(OCCC)cc(Cl)c2)C(=O)N1 | | InChi: | InChI=1S/C23H19ClN4O4/c1-2-6-32-18-8-14(7-16(24)10-18)19-9-15(20-12-26-23(31)27-21(20)29)13-28(22(19)30)17-4-3-5-25-11-17/h3-5,7-13H,2,6H2,1H3,(H2,26,27,29,31) | | Definition date: | 2021-03-30 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione |
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 | | YSJ | | Name: | 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C27 H17 Cl2 F N4 O4 | | SMILES: | Clc1ccccc1COc1cc(cc(Cl)c1F)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C27H17Cl2FN4O4/c28-21-6-2-1-4-15(21)14-38-23-10-16(9-22(29)24(23)30)19-8-17(20-12-32-27(37)33-25(20)35)13-34(26(19)36)18-5-3-7-31-11-18/h1-13H,14H2,(H2,32,33,35,37) | | Definition date: | 2021-03-30 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | YSM | | Name: | 5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C27 H18 Cl F N4 O4 | | SMILES: | Fc1cccc(c1)COc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C27H18ClFN4O4/c28-19-8-17(9-22(11-19)37-15-16-3-1-4-20(29)7-16)23-10-18(24-13-31-27(36)32-25(24)34)14-33(26(23)35)21-5-2-6-30-12-21/h1-14H,15H2,(H2,31,32,34,36) | | Definition date: | 2021-03-30 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | YSP | | Name: | 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C28 H21 Cl N4 O4 | | SMILES: | Cc1ccccc1COc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C28H21ClN4O4/c1-17-5-2-3-6-18(17)16-37-23-10-19(9-21(29)12-23)24-11-20(25-14-31-28(36)32-26(25)34)15-33(27(24)35)22-7-4-8-30-13-22/h2-15H,16H2,1H3,(H2,31,32,34,36) | | Definition date: | 2021-03-30 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | YTJ | | Name: | 2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile | | Formula: | C26 H20 Cl N3 O3 | | SMILES: | N#Cc1ccccc1C1=CN(c2cnccc2)C(=O)C(=C1)c1cc(OCCOC)cc(Cl)c1 | | InChi: | InChI=1S/C26H20ClN3O3/c1-32-9-10-33-23-12-19(11-21(27)14-23)25-13-20(24-7-3-2-5-18(24)15-28)17-30(26(25)31)22-6-4-8-29-16-22/h2-8,11-14,16-17H,9-10H2,1H3 | | Definition date: | 2021-03-31 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile |
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 | | YTM | | Name: | 5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione | | Formula: | C28 H21 Cl N4 O4 | | SMILES: | O=C1NC=C(C2=CN(c3cnccc3)C(=O)C(=C2)c2cc(OCCc3ccccc3)cc(Cl)c2)C(=O)N1 | | InChi: | InChI=1S/C28H21ClN4O4/c29-21-11-19(12-23(14-21)37-10-8-18-5-2-1-3-6-18)24-13-20(25-16-31-28(36)32-26(25)34)17-33(27(24)35)22-7-4-9-30-15-22/h1-7,9,11-17H,8,10H2,(H2,31,32,34,36) | | Definition date: | 2021-03-31 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione |
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 | | YTS | | Name: | 5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C26 H23 Cl N6 O5 | | SMILES: | O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(OCCN2CC(=O)NCC2)cc(Cl)c1 | | InChi: | InChI=1S/C26H23ClN6O5/c27-18-8-16(9-20(11-18)38-7-6-32-5-4-29-23(34)15-32)21-10-17(22-13-30-26(37)31-24(22)35)14-33(25(21)36)19-2-1-3-28-12-19/h1-3,8-14H,4-7,15H2,(H,29,34)(H2,30,31,35,37) | | Definition date: | 2021-03-31 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | YTV | | Name: | 5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione | | Formula: | C25 H23 Cl N4 O5 | | SMILES: | CC(C)(O)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C25H23ClN4O5/c1-25(2,34)5-7-35-19-9-15(8-17(26)11-19)20-10-16(21-13-28-24(33)29-22(21)31)14-30(23(20)32)18-4-3-6-27-12-18/h3-4,6,8-14,34H,5,7H2,1-2H3,(H2,28,29,31,33) | | Definition date: | 2021-03-31 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione |
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 | | YU4 | | Name: | 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione | | Formula: | C23 H16 Cl F3 N4 O4 | | SMILES: | FC(F)(F)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C23H16ClF3N4O4/c24-15-6-13(7-17(9-15)35-5-3-23(25,26)27)18-8-14(19-11-29-22(34)30-20(19)32)12-31(21(18)33)16-2-1-4-28-10-16/h1-2,4,6-12H,3,5H2,(H2,29,30,32,34) | | Definition date: | 2021-03-31 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione |
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 | | NMR | | Name: | [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron | | Formula: | C6 H4 B Cl2 O2 | | SMILES: | O[B](=O)c1cc(Cl)cc(Cl)c1 | | InChi: | InChI=1S/C6H4BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10H | | Definition date: | 2021-02-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron |
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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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 | | 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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 | | 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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 | | 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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 | | WV1 | | Name: | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide | | Formula: | C12 H16 N2 O | | SMILES: | c2c(NC(=O)C1CC1)ccc(c2)C(C)N | | InChi: | InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide |
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 | | WV4 | | Name: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline | | Formula: | C9 H12 F N O2 S | | SMILES: | c1cc(NCC)c(cc1S(C)(=O)=O)F | | InChi: | InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3 | | Definition date: | 2020-11-17 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline |
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 | | WVD | | Name: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one | | Formula: | C9 H11 N3 O2 S | | SMILES: | C2NC(=O)CN(C(c1c(C)ncs1)=O)C2 | | InChi: | InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13) | | Definition date: | 2020-11-17 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one |
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 | | QV2 | | Name: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one | | Formula: | C19 H20 N4 O2 | | SMILES: | O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4 | | InChi: | InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23) | | Definition date: | 2020-08-13 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one |
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 | | WZ7 | | Name: | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide | | Formula: | C11 H13 N3 O | | SMILES: | c2cnc(NC1CC=CC1)cc2C(=O)N | | InChi: | InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14) | | Definition date: | 2020-11-18 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide |
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