 | | 5PT | | Name: | 2-fluoranyl-N1-(4-fluorophenyl)-N3-(2-methylphenyl)benzene-1,3-dicarboxamide | | Formula: | C21 H16 F2 N2 O2 | | SMILES: | Cc1ccccc1NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2F | | InChi: | InChI=1S/C21H16F2N2O2/c1-13-5-2-3-8-18(13)25-21(27)17-7-4-6-16(19(17)23)20(26)24-15-11-9-14(22)10-12-15/h2-12H,1H3,(H,24,26)(H,25,27) | | Definition date: | 2021-08-24 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 2-fluoranyl-~{N}1-(4-fluorophenyl)-~{N}3-(2-methylphenyl)benzene-1,3-dicarboxamide |
|
 | | A1D7Y | | Name: | 2-methoxy-6-methyl-benzene-1,4-diol | | Formula: | C8 H10 O3 | | SMILES: | COc1cc(O)cc(C)c1O | | InChi: | InChI=1S/C8H10O3/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4,9-10H,1-2H3 | | Synonyms: | 62AA03E1HR | | Definition date: | 2024-04-19 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 2-methoxy-6-methyl-benzene-1,4-diol |
|
 | | A1D7Z | | Name: | 2,3,5-trimethylbenzene-1,4-diol | | Formula: | C9 H12 O2 | | SMILES: | Cc1cc(O)c(C)c(C)c1O | | InChi: | InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3 | | Synonyms: | Trimethylhydroquinone | | Definition date: | 2024-04-19 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 2,3,5-trimethylbenzene-1,4-diol |
|
 | | A1IE9 | | Name: | 4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride | | Formula: | C18 H20 F N5 O3 S | | SMILES: | F[S](=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)cc1 | | InChi: | InChI=1S/C18H20FN5O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,20,21,22,23,24) | | Definition date: | 2024-06-19 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride |
|
 | | YA9 | | Name: | 4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid | | Formula: | C32 H24 N6 O6 S2 | | SMILES: | Nc1c(cc(c2ccccc12)[S](O)(=O)=O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S](O)(=O)=O | | InChi: | InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/b37-35+,38-36+ | | Definition date: | 2023-11-28 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid |
|
 | | H9X | | Name: | 5-bromanyl-N2-[(4-bromophenyl)-bis(oxidanyl)-$l^4-sulfanyl]-N1,N1,N3,N3-tetrakis(oxidanyl)benzene-1,2,3-triamine | | Formula: | C12 H13 Br2 N3 O6 S | | SMILES: | ON(O)c1cc(Br)cc(N(O)O)c1N[S](O)(O)c2ccc(Br)cc2 | | InChi: | InChI=1S/C12H13Br2N3O6S/c13-7-1-3-9(4-2-7)24(22,23)15-12-10(16(18)19)5-8(14)6-11(12)17(20)21/h1-6,15,18-23H | | Definition date: | 2020-12-11 | | Last modified: | 2024-08-30 | | Release date: | 2024-09-04 | | Identifier: | 5-bromanyl-~{N}2-[(4-bromophenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-~{N}1,~{N}1,~{N}3,~{N}3-tetrakis(oxidanyl)benzene-1,2,3-triamine |
|
 | | A1AZR | | Name: | 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid | | Formula: | C37 H40 N4 O11 S2 | | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O)c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O)O)c1ccc(CCOC)cc1 | | InChi: | InChI=1S/C37H40N4O11S2/c1-3-4-5-24-6-12-28(13-7-24)53(48,49)40-32-16-10-26(22-30(32)36(44)45)38-34(42)18-19-35(43)39-27-11-17-33(31(23-27)37(46)47)41-54(50,51)29-14-8-25(9-15-29)20-21-52-2/h6-17,22-23,40-41H,3-5,18-21H2,1-2H3,(H,38,42)(H,39,43)(H,44,45)(H,46,47) | | Definition date: | 2024-07-24 | | Last modified: | 2024-08-30 | | Release date: | 2024-09-04 | | Identifier: | 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid |
|
 | | A1AZS | | Name: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid] | | Formula: | C38 H42 N4 O10 S2 | | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O)c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O)O)c1ccc(CCCC)cc1 | | InChi: | InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)39-35(43)21-22-36(44)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,43)(H,40,44)(H,45,46)(H,47,48) | | Definition date: | 2024-07-24 | | Last modified: | 2024-08-30 | | Release date: | 2024-09-04 | | Identifier: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid] |
|
 | | EZI | | Name: | 4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile | | Formula: | C18 H15 N3 O2 | | SMILES: | CC(C)C1=Nc2cc(O)ccc2C(=O)N1c3ccc(cc3)C#N | | InChi: | InChI=1S/C18H15N3O2/c1-11(2)17-20-16-9-14(22)7-8-15(16)18(23)21(17)13-5-3-12(10-19)4-6-13/h3-9,11,22H,1-2H3 | | Synonyms: | Vanilloid receptor antagonist 1 | | Definition date: | 2023-06-20 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 4-(7-oxidanyl-4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)benzenecarbonitrile |
|
 | | ILW | | Name: | 1,3,5-trimethoxybenzene | | Formula: | C9 H12 O3 | | SMILES: | COc1cc(OC)cc(OC)c1 | | InChi: | InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3 | | Definition date: | 2023-08-01 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 1,3,5-trimethoxybenzene |
|
 | | A1AS6 | | Name: | N-(2-{4-[4-(aminomethyl)benzene-1-sulfonamido]phenyl}-1,3-benzoxazol-5-yl)-5-chlorothiophene-2-sulfonamide | | Formula: | C24 H19 Cl N4 O5 S3 | | SMILES: | O=S(=O)(Nc1ccc2oc(nc2c1)c1ccc(NS(=O)(=O)c2ccc(CN)cc2)cc1)c1ccc(Cl)s1 | | InChi: | InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)29-18-7-10-21-20(13-18)27-24(34-21)16-3-5-17(6-4-16)28-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2 | | Definition date: | 2024-05-28 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | N-(2-{4-[4-(aminomethyl)benzene-1-sulfonamido]phenyl}-1,3-benzoxazol-5-yl)-5-chlorothiophene-2-sulfonamide |
|
 | | A1ADF | | Name: | 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid | | Formula: | C15 H15 N3 O2 | | SMILES: | CN(C)c1ccc(/N=N/c2ccc(cc2)C(=O)O)cc1 | | InChi: | InChI=1S/C15H15N3O2/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+ | | Definition date: | 2024-01-21 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid |
|
 | | OJK | | Name: | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol | | Formula: | C7 H8 Cl N O2 | | SMILES: | NCc1cc(O)c(Cl)cc1O | | InChi: | InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2 | | Definition date: | 2021-03-22 | | Last modified: | 2024-07-17 | | Release date: | 2021-03-31 | | Identifier: | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol |
|
 | | S7Z | | Name: | (E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol | | Formula: | C14 H6 F4 N2 O4 | | SMILES: | OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1 | | InChi: | InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19- | | Synonyms: | [4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol | | Definition date: | 2020-11-11 | | Last modified: | 2024-06-28 | | Release date: | 2021-12-15 | | Identifier: | 4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid |
|
 | | CRK | | Name: | 4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE | | Formula: | C16 H15 N2 O5 S | | SMILES: | O=C(C1=N/C(C(=O)N1CC=O)=C/c2ccc([O-])cc2)CCSC | | InChi: | InChI=1S/C16H16N2O5S/c1-24-7-6-13(20)15-17-12(16(23)18(15)9-14(21)22)8-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,9H2,1H3,(H,21,22)/p-1/b12-8+ | | Definition date: | 2004-10-11 | | Last modified: | 2024-06-28 | | Identifier: | 4-[(E)-{2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl]phenolate |
|
 | | A1IBD | | Name: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide | | Formula: | C10 H16 N2 O2 S | | SMILES: | C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1 | | InChi: | InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1 | | Definition date: | 2024-05-10 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
|
 | | A1IBE | | Name: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide | | Formula: | C9 H13 F N2 O3 S | | SMILES: | NC[CH](O)CN[S](=O)(=O)c1ccccc1F | | InChi: | InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1 | | Definition date: | 2024-05-10 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide |
|
 | | A1IBQ | | Name: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide | | Formula: | C14 H14 F2 N2 O2 S | | SMILES: | N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2 | | InChi: | InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1 | | Definition date: | 2024-05-14 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide |
|
 | | A1IBR | | Name: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide | | Formula: | C15 H16 F2 N2 O2 S | | SMILES: | CN(C[CH](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2 | | InChi: | InChI=1S/C15H16F2N2O2S/c1-19(10-15(18)11-5-3-2-4-6-11)22(20,21)14-8-12(16)7-13(17)9-14/h2-9,15H,10,18H2,1H3/t15-/m1/s1 | | Definition date: | 2024-05-14 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide |
|
 | | WP9 | | Name: | ~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate | | Formula: | C21 H33 N4 O9 P S | | SMILES: | CC(C)(CO[P](O)(=O)OC[CH](N)C=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N | | InChi: | InChI=1S/C21H33N4O9PS/c1-21(2,13-34-35(31,32)33-12-14(22)11-26)18(28)19(29)25-8-7-17(27)24-9-10-36-20(30)15-5-3-4-6-16(15)23/h3-6,11,14,18,28H,7-10,12-13,22-23H2,1-2H3,(H,24,27)(H,25,29)(H,31,32)/t14-,18+/m1/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate |
|
 | | O2I | | Name: | 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile | | Formula: | C20 H13 F2 N3 O2 | | SMILES: | CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(cc3)C#N | | InChi: | InChI=1S/C20H13F2N3O2/c1-25-18(7-6-12-2-4-13(11-23)5-3-12)24-17(20(25)27)10-14-8-15(21)19(26)16(22)9-14/h2-10,26H,1H3/b7-6+,17-10- | | Definition date: | 2023-01-20 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile |
|
 | | A1AU1 | | Name: | 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide | | Formula: | C15 H9 Cl2 F N2 O3 S | | SMILES: | Clc1cc(c(O)c(Cl)c1)S(=O)(=O)Nc1ccc(F)c2cnccc21 | | InChi: | InChI=1S/C15H9Cl2FN2O3S/c16-8-5-11(17)15(21)14(6-8)24(22,23)20-13-2-1-12(18)10-7-19-4-3-9(10)13/h1-7,20-21H | | Definition date: | 2024-06-12 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide |
|
 | | A1AU5 | | Name: | N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide | | Formula: | C16 H15 Cl N2 O4 S | | SMILES: | Clc1cccc(c1O)S(=O)(=O)Nc1cccc2c1CCN2C(C)=O | | InChi: | InChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3 | | Definition date: | 2024-06-13 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide |
|
 | | A1AUT | | Name: | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide | | Formula: | C14 H10 Cl2 N2 O3 S2 | | SMILES: | Clc1cccc(c1O)S(=O)(=O)Nc1cc2sc(C)nc2cc1Cl | | InChi: | InChI=1S/C14H10Cl2N2O3S2/c1-7-17-11-5-9(16)10(6-12(11)22-7)18-23(20,21)13-4-2-3-8(15)14(13)19/h2-6,18-19H,1H3 | | Definition date: | 2024-06-10 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide |
|
 | | X8K | | Name: | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile | | Formula: | C25 H20 N4 O2 | | SMILES: | O=C(N1CCOCC1)c2ccc(cc2)c3ccc4ncc(n4c3)c5ccc(cc5)C#N | | InChi: | InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2 | | Definition date: | 2023-06-06 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile |
|
