 | | ILQ | | Name: | (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide | | Formula: | C35 H42 Cl N5 O4 Si | | SMILES: | CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl | | InChi: | InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)35(29)30-20-24(8-11-27(30)34(43)41(35)23-37)33(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22,39H,4-7,14-19,38H2,1-3H3,(H,40,42)/t35-/m1/s1 | | Definition date: | 2022-04-06 | | Last modified: | 2023-01-27 | | Release date: | 2023-02-01 | | Identifier: | (10~{R})-7-azanyl-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide |
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 | | ILU | | Name: | [7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium | | Formula: | C35 H43 Cl N5 O4 Si | | SMILES: | C[NH+]=C1C=CC2=C(c3ccc(N)cc3[Si](C)(C)C2=C1)c4cc(ccc4C(=O)NC#N)C(=O)NCCOCCOCCCCCCCl | | InChi: | InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)33(29)30-20-24(8-11-27(30)35(43)41-23-37)34(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22H,4-7,14-19,38H2,1-3H3,(H,40,42)(H,41,43)/p+1/b39-26+ | | Definition date: | 2022-04-06 | | Last modified: | 2023-01-27 | | Release date: | 2023-02-01 | | Identifier: | [7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium |
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 | | WBV | | Name: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid | | Formula: | C27 H31 Cl N4 O3 | | SMILES: | Cc3nc4n(Cc1cnn(C)c1)c(C)c(C)c4c(c2ccc(cc2)Cl)c3C(C(O)=O)OC(C)(C)C | | InChi: | InChI=1S/C27H31ClN4O3/c1-15-17(3)32(14-18-12-29-31(7)13-18)25-21(15)23(19-8-10-20(28)11-9-19)22(16(2)30-25)24(26(33)34)35-27(4,5)6/h8-13,24H,14H2,1-7H3,(H,33,34)/t24-/m0/s1 | | Synonyms: | Pirmitegravir | | Definition date: | 2020-10-12 | | Last modified: | 2023-01-25 | | Release date: | 2021-09-22 | | Identifier: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid |
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 | | 0I7 | | Name: | 3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1S)-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione | | Formula: | C41 H41 B F2 N7 O6 | | SMILES: | CN1C(=O)N(CCn2cc(COc3ccc(cc3)C4c5n(c(C)cc5C)[B](F)(F)n6c(C)cc(C)c46)nn2)C(=O)c7c(C)c(ccc17)C(=O)[CH]8C(=CCCC8=O)O | | InChi: | InChI=1S/C41H41BF2N7O6/c1-22-18-24(3)50-37(22)35(38-23(2)19-25(4)51(38)42(50,43)44)27-10-12-29(13-11-27)57-21-28-20-48(46-45-28)16-17-49-40(55)34-26(5)30(14-15-31(34)47(6)41(49)56)39(54)36-32(52)8-7-9-33(36)53/h8,10-15,18-20,35-36,52H,7,9,16-17,21H2,1-6H3/t36-/m0/s1 | | Definition date: | 2022-01-20 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1~{S})-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione |
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 | | I1B | | Name: | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | | Formula: | C10 H9 N3 S | | SMILES: | Cc1cc(C)c2n3cnnc3sc2c1 | | InChi: | InChI=1S/C10H9N3S/c1-6-3-7(2)9-8(4-6)14-10-12-11-5-13(9)10/h3-5H,1-2H3 | | Synonyms: | 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole | | Definition date: | 2022-02-08 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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 | | I1Q | | Name: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | | Formula: | C9 H7 N3 S | | SMILES: | Cc1ccc2n3cnnc3sc2c1 | | InChi: | InChI=1S/C9H7N3S/c1-6-2-3-7-8(4-6)13-9-11-10-5-12(7)9/h2-5H,1H3 | | Synonyms: | 7-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole | | Definition date: | 2022-02-08 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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 | | I4X | | Name: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | | Formula: | C11 H11 N3 S | | SMILES: | CC(C)c1ccc2n3cnnc3sc2c1 | | InChi: | InChI=1S/C11H11N3S/c1-7(2)8-3-4-9-10(5-8)15-11-13-12-6-14(9)11/h3-7H,1-2H3 | | Definition date: | 2022-02-11 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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 | | I5F | | Name: | [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol | | Formula: | C8 H5 N3 O S | | SMILES: | Oc1ccc2n3cnnc3sc2c1 | | InChi: | InChI=1S/C8H5N3OS/c12-5-1-2-6-7(3-5)13-8-10-9-4-11(6)8/h1-4,12H | | Definition date: | 2022-02-11 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol |
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 | | I9L | | Name: | 6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | | Formula: | C8 H4 Cl N3 S | | SMILES: | Clc1ccc2n3cnnc3sc2c1 | | InChi: | InChI=1S/C8H4ClN3S/c9-5-1-2-6-7(3-5)13-8-11-10-4-12(6)8/h1-4H | | Definition date: | 2022-03-03 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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 | | I9R | | Name: | 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | | Formula: | C10 H9 N3 O2 S | | SMILES: | COc1ccc(OC)c2n3cnnc3sc12 | | InChi: | InChI=1S/C10H9N3O2S/c1-14-6-3-4-7(15-2)9-8(6)13-5-11-12-10(13)16-9/h3-5H,1-2H3 | | Definition date: | 2022-03-03 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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 | | IAJ | | Name: | 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | | Formula: | C9 H7 N3 O S | | SMILES: | COc1cccc2sc3nncn3c12 | | InChi: | InChI=1S/C9H7N3OS/c1-13-6-3-2-4-7-8(6)12-5-10-11-9(12)14-7/h2-5H,1H3 | | Definition date: | 2022-03-03 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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 | | IAO | | Name: | 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine | | Formula: | C10 H10 N4 O2 S | | SMILES: | COc1ccc(OC)c2n3c(N)nnc3sc12 | | InChi: | InChI=1S/C10H10N4O2S/c1-15-5-3-4-6(16-2)8-7(5)14-9(11)12-13-10(14)17-8/h3-4H,1-2H3,(H2,11,12) | | Definition date: | 2022-03-03 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine |
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 | | IAW | | Name: | 6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | | Formula: | C9 H7 N3 O S | | SMILES: | COc1ccc2n3cnnc3sc2c1 | | InChi: | InChI=1S/C9H7N3OS/c1-13-6-2-3-7-8(4-6)14-9-11-10-5-12(7)9/h2-5H,1H3 | | Definition date: | 2022-03-04 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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 | | P8O | | Name: | (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine | | Formula: | C24 H22 F3 N7 S | | SMILES: | N[CH]1c2ccccc2CC13CCN(CC3)c4[nH]c5nc(Sc6cccnc6C(F)(F)F)cnc5n4 | | InChi: | InChI=1S/C24H22F3N7S/c25-24(26,27)19-16(6-3-9-29-19)35-17-13-30-20-21(31-17)33-22(32-20)34-10-7-23(8-11-34)12-14-4-1-2-5-15(14)18(23)28/h1-6,9,13,18H,7-8,10-12,28H2,(H,30,31,32,33)/t18-/m1/s1 | | Definition date: | 2022-10-03 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine |
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 | | KC3 | | Name: | 3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine | | Formula: | C12 H17 N5 | | SMILES: | CC1CCN(CC1)c2ccc3nnc(C)n3n2 | | InChi: | InChI=1S/C12H17N5/c1-9-5-7-16(8-6-9)12-4-3-11-14-13-10(2)17(11)15-12/h3-4,9H,5-8H2,1-2H3 | | Definition date: | 2022-09-14 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine |
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 | | KCL | | Name: | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | Formula: | C16 H16 N6 | | SMILES: | Cc1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12 | | InChi: | InChI=1S/C16H16N6/c1-11-19-20-16-7-6-15(21-22(11)16)17-9-8-12-10-18-14-5-3-2-4-13(12)14/h2-7,10,18H,8-9H2,1H3,(H,17,21) | | Definition date: | 2022-09-14 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
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 | | 81D | | Name: | (S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol | | Formula: | C20 H24 B Cl N6 O10 P | | SMILES: | NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCO)ccc(Cl)c16 | | InChi: | InChI=1S/C20H24BClN6O10P/c22-9-1-2-10(33-4-3-29)14-13(9)11(5-23)36-21(14)37-16-12(6-34-39(30,31)32)35-20(17(16)38-21)28-8-27-15-18(24)25-7-26-19(15)28/h1-2,7-8,11-12,16-17,20,29H,3-6,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/t11-,12-,16-,17-,20-,21+/m1/s1 | | Synonyms: | [(1R,5S,6R,8R,9'S)-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate | | Definition date: | 2021-09-21 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | [(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate |
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 | | SIV | | Name: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) | | Formula: | C6 H8 O7 | | SMILES: | OC1COC2(O)C1OC(=O)C2(O)O | | InChi: | InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2/t2-,3+,6-/m0/s1 | | Definition date: | 2022-07-05 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) |
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 | | EX9 | | Name: | 3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide | | Formula: | C27 H33 F N6 O2 S | | SMILES: | CN(C)CCC[S](=O)(=O)N[CH]1CC[CH](CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc5[nH]ccc45 | | InChi: | InChI=1S/C27H33FN6O2S/c1-33(2)16-3-17-37(35,36)32-21-8-10-22(11-9-21)34-18-31-25(19-4-6-20(28)7-5-19)26(34)23-12-14-29-27-24(23)13-15-30-27/h4-7,12-15,18,21-22,32H,3,8-11,16-17H2,1-2H3,(H,29,30)/t21-,22+ | | Definition date: | 2022-01-17 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide |
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 | | EYI | | Name: | 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine | | Formula: | C22 H21 F N4 | | SMILES: | Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45 | | InChi: | InChI=1S/C22H21FN4/c23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,24,25) | | Definition date: | 2022-01-17 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
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 | | EZQ | | Name: | 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine | | Formula: | C22 H16 F N5 | | SMILES: | Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45 | | InChi: | InChI=1S/C22H16FN5/c23-17-3-1-16(2-4-17)20-21(18-7-11-25-22-19(18)8-12-26-22)28(14-27-20)13-15-5-9-24-10-6-15/h1-12,14H,13H2,(H,25,26) | | Definition date: | 2022-01-17 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
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 | | JHO | | Name: | (2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol | | Formula: | C18 H20 N6 O | | SMILES: | CCc1nnc2ccc(N[CH](CO)Cc3c[nH]c4ccccc34)nn12 | | InChi: | InChI=1S/C18H20N6O/c1-2-17-21-22-18-8-7-16(23-24(17)18)20-13(11-25)9-12-10-19-15-6-4-3-5-14(12)15/h3-8,10,13,19,25H,2,9,11H2,1H3,(H,20,23)/t13-/m0/s1 | | Definition date: | 2022-08-11 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2~{S})-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1~{H}-indol-3-yl)propan-1-ol |
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 | | JLX | | Name: | N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | Formula: | C16 H13 F3 N6 | | SMILES: | FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12 | | InChi: | InChI=1S/C16H13F3N6/c17-16(18,19)15-23-22-14-6-5-13(24-25(14)15)20-8-7-10-9-21-12-4-2-1-3-11(10)12/h1-6,9,21H,7-8H2,(H,20,24) | | Definition date: | 2022-08-22 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
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 | | S9C | | Name: | 7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole | | Formula: | C16 H10 F N3 | | SMILES: | Fc1ccc(cn1)c2ccc3c([nH]c4ccncc34)c2 | | InChi: | InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H | | Definition date: | 2022-12-14 | | Last modified: | 2023-01-06 | | Release date: | 2023-01-11 | | Identifier: | 7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole |
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 | | OOX | | Name: | 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one | | Formula: | C18 H21 N O4 | | SMILES: | O=C1CCC2(O)C3Cc4ccc(OC)c5OC1C2(CCN3C)c54 | | InChi: | InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 | | Synonyms: | Oxycodone | | Definition date: | 2022-03-04 | | Last modified: | 2023-01-06 | | Release date: | 2023-01-11 | | Identifier: | 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one |
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