 | | J1F | | Name: | ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid | | Formula: | C24 H32 N13 O10 P | | SMILES: | C(N(CC(NCC3C(C(C(n2cnc1c(ncnc12)N)O3)O)O)=O)C(=O)CNC(C=5C(C)(C)NC4=C(C(=O)NC(=N4)N)N=5)=O)P(O)(O)=O | | InChi: | InChI=1S/C24H32N13O10P/c1-24(2)16(32-13-18(35-24)33-23(26)34-20(13)42)21(43)28-4-11(39)36(8-48(44,45)46)5-10(38)27-3-9-14(40)15(41)22(47-9)37-7-31-12-17(25)29-6-30-19(12)37/h6-7,9,14-15,22,40-41H,3-5,8H2,1-2H3,(H,27,38)(H,28,43)(H2,25,29,30)(H2,44,45,46)(H4,26,33,34,35,42)/t9-,14-,15-,22-/m1/s1 | | Synonyms: | 5'-{[N-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)glycyl-N-(phosphonomethyl)glycyl]amino}-5'-deoxyadenosine | | Definition date: | 2017-08-17 | | Last modified: | 2021-03-13 | | Release date: | 2018-08-15 | | Identifier: | 5'-{[N-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)glycyl-N-(phosphonomethyl)glycyl]amino}-5'-deoxyadenosine |
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 | | J1I | | Name: | 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine | | Formula: | C24 H35 N12 O8 P S | | SMILES: | NC=1NC(=O)C=2N=C(C(C)(NC=2N=1)C)C(=O)NCCN(CCSCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CP(O)(O)=O | | InChi: | InChI=1S/C24H35N12O8PS/c1-24(2)16(31-13-18(34-24)32-23(26)33-20(13)39)21(40)27-3-4-35(10-45(41,42)43)5-6-46-7-11-14(37)15(38)22(44-11)36-9-30-12-17(25)28-8-29-19(12)36/h8-9,11,14-15,22,37-38H,3-7,10H2,1-2H3,(H,27,40)(H2,25,28,29)(H2,41,42,43)(H4,26,32,33,34,39)/t11-,14-,15-,22-/m1/s1 | | Synonyms: | (((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)ethyl)(2-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)ethyl)amino)methyl)phosphonic acid | | Definition date: | 2017-08-17 | | Last modified: | 2021-03-13 | | Release date: | 2018-08-15 | | Identifier: | 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine |
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 | | 7BU | | Name: | [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc | | Formula: | C24 H8 F12 N4 Zn | | SMILES: | N51C6=C(C8=N2C(=C(C(F)(F)F)c4ccc3C(C(F)(F)F)=C7N([Zn]12n34)=C(C(=C5C=C6)C(F)(F)F)C=C7)C=C8)C(F)(F)F | | InChi: | InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13 | | Synonyms: | [5,10,15,20-Tetrakis(trifluoromethyl)porphinato]zinc(II) | | Definition date: | 2016-09-29 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-09 | | Identifier: | [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc |
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 | | 7CK | | Name: | 7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole | | Formula: | C21 H13 N3 O3 | | SMILES: | O=C(O)c5c4c1c6c(nc1c3c(c2ccccc2n3)c4c(O)n5)cccc6 | | InChi: | InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,22-25H,(H,26,27) | | Synonyms: | 7-HYDROXY-12,13-DIHYDRO-6H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5-CARBOXYLIC ACID | | Definition date: | 2007-09-06 | | Last modified: | 2021-03-13 | | Identifier: | 7-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid |
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 | | 7D6 | | Name: | (S)-orteronel | | Formula: | C18 H17 N3 O2 | | SMILES: | c2c1c(ccc(C(NC)=O)c1)cc(c2)C4(CCn3c4cnc3)O | | InChi: | InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1 | | Synonyms: | 6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide | | Definition date: | 2016-03-16 | | Last modified: | 2021-03-13 | | Release date: | 2017-03-15 | | Identifier: | 6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide |
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 | | 7DL | | Name: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Formula: | C29 H30 Cl2 N8 O3 | | SMILES: | C(=O)([C@H]=Cc1cc(Cl)ccc1n2nnnc2)NC4c5nc(c3ccc(NC(OC)=O)cc3CCCCCCC4)c(Cl)n5 | | InChi: | InChI=1S/C29H30Cl2N8O3/c1-42-29(41)33-21-11-12-22-18(16-21)7-5-3-2-4-6-8-23(28-35-26(22)27(31)36-28)34-25(40)14-9-19-15-20(30)10-13-24(19)39-17-32-37-38-39/h9-17,23H,2-8H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1 | | Synonyms: | methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate | | Definition date: | 2016-10-11 | | Last modified: | 2021-03-13 | | Release date: | 2017-03-01 | | Identifier: | methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate |
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 | | 7E1 | | Name: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid | | Formula: | C30 H27 Cl O7 S | | SMILES: | c1c(ccc(c1)O)C4=C(c2ccc([C@H]=CCCCC(O)=O)cc2)C5C(S(Oc3cc(Cl)ccc3)(=O)=O)CC4O5 | | InChi: | InChI=1S/C30H27ClO7S/c31-22-6-4-7-24(17-22)38-39(35,36)26-18-25-28(20-13-15-23(32)16-14-20)29(30(26)37-25)21-11-9-19(10-12-21)5-2-1-3-8-27(33)34/h2,4-7,9-17,25-26,30,32H,1,3,8,18H2,(H,33,34)/t25-,26+,30+/m0/s1 | | Synonyms: | (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid | | Definition date: | 2016-10-13 | | Last modified: | 2021-03-13 | | Release date: | 2017-01-18 | | Identifier: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid |
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 | | 7ED | | Name: | 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate | | Formula: | C42 H50 O8 | | SMILES: | CCC(C(c1ccc(O)cc1)C(OCCCCCCCCOC(=O)C(C(CC)c2ccc(cc2)O)c3ccc(cc3)O)=O)c4ccc(O)cc4 | | InChi: | InChI=1S/C42H50O8/c1-3-37(29-11-19-33(43)20-12-29)39(31-15-23-35(45)24-16-31)41(47)49-27-9-7-5-6-8-10-28-50-42(48)40(32-17-25-36(46)26-18-32)38(4-2)30-13-21-34(44)22-14-30/h11-26,37-40,43-46H,3-10,27-28H2,1-2H3/t37-,38?,39+,40?/m1/s1 | | Synonyms: | octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate) | | Definition date: | 2016-10-14 | | Last modified: | 2021-03-13 | | Release date: | 2017-01-18 | | Identifier: | 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate |
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 | | 7F6 | | Name: | (1R,2R)-1,2-diphenylethane-1,2-diol | | Formula: | C14 H14 O2 | | SMILES: | C(C(c1ccccc1)O)(O)c2ccccc2 | | InChi: | InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1 | | Synonyms: | cis-stilbene epoxide, bound form | | Definition date: | 2016-10-17 | | Last modified: | 2021-03-13 | | Release date: | 2017-10-11 | | Identifier: | (1R,2R)-1,2-diphenylethane-1,2-diol |
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 | | J6S | | Name: | (3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid | | Formula: | C12 H9 N O5 | | SMILES: | C(C([C@H]=CC=Cc1ccc([N+](=O)[O-])cc1)=O)(O)=O | | InChi: | InChI=1S/C12H9NO5/c14-11(12(15)16)4-2-1-3-9-5-7-10(8-6-9)13(17)18/h1-8H,(H,15,16)/b3-1+,4-2+ | | Synonyms: | 4-nitro-cinnamylidenepyruvate, bound form | | Definition date: | 2018-08-15 | | Last modified: | 2021-03-13 | | Release date: | 2019-08-14 | | Identifier: | (3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid |
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 | | 7G4 | | Name: | ruthenocene | | Formula: | C10 H10 Ru | | SMILES: | C1%12C%11C4C35 | | InChi: | InChI=1S/2C5H5.Ru/c2*1-2-4-5-3-1 | | Synonyms: | bis[(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium | | Definition date: | 2016-10-19 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-08 | | Identifier: | bis[(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium |
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 | | 7GC | | Name: | 4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide | | Formula: | C11 H11 N3 O3 S2 | | SMILES: | Cc1ccc(cc1)S(NC(Nc2sccn2)=O)(=O)=O | | InChi: | InChI=1S/C11H11N3O3S2/c1-8-2-4-9(5-3-8)19(16,17)14-10(15)13-11-12-6-7-18-11/h2-7H,1H3,(H2,12,13,14,15) | | Synonyms: | 4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide | | Definition date: | 2016-10-19 | | Last modified: | 2021-03-13 | | Release date: | 2018-04-18 | | Identifier: | 4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide |
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 | | J90 | | Name: | 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide | | Formula: | C11 H11 N5 O5 S | | SMILES: | O=[N+]([O-])C1=C(N=CNC1=O)NCc2ccc(cc2)S(=O)(=O)N | | InChi: | InChI=1S/C11H11N5O5S/c12-22(20,21)8-3-1-7(2-4-8)5-13-10-9(16(18)19)11(17)15-6-14-10/h1-4,6H,5H2,(H2,12,20,21)(H2,13,14,15,17) | | Synonyms: | 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide | | Definition date: | 2010-04-22 | | Last modified: | 2021-03-13 | | Identifier: | 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide |
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 | | 7JE | | Name: | 5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide | | Formula: | C29 H24 F N3 O4 | | SMILES: | Cn1ncc2cc(ccc12)[CH](O)c3cccc(CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)c3 | | InChi: | InChI=1S/C29H24FN3O4/c1-33-25-10-7-20(12-22(25)16-32-33)27(35)19-4-2-3-17(11-19)15-31-29(37)24-13-21(14-26(34)28(24)36)18-5-8-23(30)9-6-18/h2-14,16,27,34-36H,15H2,1H3,(H,31,37)/t27-/m1/s1 | | Synonyms: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[hydroxy-(1-methylindazol-5-yl)methyl]phenyl]methyl]benzamide | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-22 | | Identifier: | 5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide |
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 | | 7JF | | Name: | 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C20 H11 F3 N2 O2 | | SMILES: | Oc1c(F)c(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14 | | InChi: | InChI=1S/C20H11F3N2O2/c21-12-5-1-10(2-6-12)14-15(11-3-7-13(22)8-4-11)17(23)19(26)18-16(14)20(27)25-9-24-18/h1-9,26H,(H,24,25,27) | | Synonyms: | 7-fluoro-5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-22 | | Identifier: | 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7JH | | Name: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C13 H11 N3 O2 S | | SMILES: | Cc1sc(c(C)n1)c2cc(O)c3N=CNC(=O)c3c2 | | InChi: | InChI=1S/C13H11N3O2S/c1-6-12(19-7(2)16-6)8-3-9-11(10(17)4-8)14-5-15-13(9)18/h3-5,17H,1-2H3,(H,14,15,18) | | Synonyms: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-22 | | Identifier: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7KZ | | Name: | N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine | | Formula: | C22 H35 N5 O2 | | SMILES: | C(CCCC)CNc3nc(NC1CCN(C)CC1)c2cc(c(OC)cc2n3)OC | | InChi: | InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26) | | Synonyms: | N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine | | Definition date: | 2016-11-07 | | Last modified: | 2021-03-13 | | Release date: | 2016-12-21 | | Identifier: | N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine |
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 | | 628 | | Name: | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE | | Formula: | C20 H14 Cl2 N4 O3 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)Nc2nc3ccc(cn3c2)C(=O)c4c(Cl)cccc4Cl | | InChi: | InChI=1S/C20H14Cl2N4O3S/c21-15-2-1-3-16(22)19(15)20(27)12-4-9-18-25-17(11-26(18)10-12)24-13-5-7-14(8-6-13)30(23,28)29/h1-11,24H,(H2,23,28,29) | | Synonyms: | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | | Definition date: | 2005-02-15 | | Last modified: | 2021-03-13 | | Identifier: | 4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]pyridin-2-yl}amino)benzenesulfonamide |
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 | | 62G | | Name: | CPI-0610 | | Formula: | C20 H16 Cl N3 O2 | | SMILES: | n1c(c2c(o1)C(CC(N)=O)N=C(c3c2cccc3)c4ccc(cc4)Cl)C | | InChi: | InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1 | | Synonyms: | 2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide | | Definition date: | 2016-01-15 | | Last modified: | 2021-03-13 | | Release date: | 2016-02-10 | | Identifier: | 2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide |
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 | | 63X | | Name: | Mofezolac | | Formula: | C19 H17 N O5 | | SMILES: | c3(OC)ccc(c2c(CC(O)=O)onc2c1ccc(OC)cc1)cc3 | | InChi: | InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22) | | Synonyms: | [3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid | | Definition date: | 2016-01-22 | | Last modified: | 2021-03-13 | | Release date: | 2017-07-26 | | Identifier: | [3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid |
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 | | 64L | | Name: | KB2115 | | Formula: | C18 H17 Br2 N O5 | | SMILES: | C(=O)(O)CC(=O)Nc1cc(Br)c(c(c1)Br)Oc2ccc(c(c2)C(C)C)O | | InChi: | InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25) | | Synonyms: | 3-({3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}amino)-3-oxopropanoic acid | | Definition date: | 2016-01-25 | | Last modified: | 2021-03-13 | | Release date: | 2016-05-18 | | Identifier: | 3-({3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}amino)-3-oxopropanoic acid |
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 | | 65C | | Name: | CHIR99021 | | Formula: | C22 H18 Cl2 N8 | | SMILES: | c4nc(c2c(c1ccc(Cl)cc1Cl)nc(nc2)NCCNc3ccc(cn3)C#N)nc4C | | InChi: | InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32) | | Synonyms: | 6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile | | Definition date: | 2016-01-26 | | Last modified: | 2021-03-13 | | Release date: | 2016-05-25 | | Identifier: | 6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile |
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 | | 666 | | Name: | 6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE | | Formula: | C24 H24 I N3 O2 | | SMILES: | O=C4NN=C(c3ccc(NC1=C(C(=O)CCC1)Cc2cccc(I)c2)cc3)C(C)C4 | | InChi: | InChI=1S/C24H24IN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m1/s1 | | Synonyms: | (5R)-6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE | | Definition date: | 2004-03-19 | | Last modified: | 2021-03-13 | | Identifier: | (5R)-6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one |
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 | | 6BQ | | Name: | Phosphorylated josamycin | | Formula: | C42 H74 N O18 P | | SMILES: | C1(O)C(CC(C(C(C(CC(OC(CCC=CC1)C)=O)OC(=O)C)OC)OC2C(OP(=O)(O)O)C(N(C)C)C(C(O2)C)OC3CC(O)(C(C(O3)C)OC(CC(C)C)=O)C)CCO)C | | InChi: | InChI=1S/C42H74NO18P/c1-23(2)19-32(47)58-40-27(6)55-34(22-42(40,8)49)59-36-26(5)56-41(39(35(36)43(9)10)61-62(50,51)52)60-37-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)54-33(48)21-31(38(37)53-11)57-28(7)45/h12,14,23-27,29-31,34-41,44,46,49H,13,15-22H2,1-11H3,(H2,50,51,52)/b14-12+/t24-,25-,26-,27+,29+,30+,31-,34+,35+,36-,37+,38+,39-,40+,41+,42-/m1/s1 | | Synonyms: | (2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,16R)-4-(acetyloxy)-10-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadec-12-en-6-yl]oxy}-4-(dimethylamino)-2-methyl-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate | | Definition date: | 2016-03-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-04-26 | | Identifier: | (2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,16R)-4-(acetyloxy)-10-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadec-12-en-6-yl]oxy}-4-(dimethylamino)-2-methyl-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name) |
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 | | 6D8 | | Name: | VT-464 | | Formula: | C18 H17 F4 N3 O3 | | SMILES: | c2c(c(cc3cc(C(c1cnnn1)(C(C)C)O)ccc23)OC(F)F)OC(F)F | | InChi: | InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1 | | Synonyms: | (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-1,2,3-triazol-4-yl)propan-1-ol | | Definition date: | 2016-03-16 | | Last modified: | 2021-03-13 | | Release date: | 2017-03-15 | | Identifier: | (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)propan-1-ol |
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