 | | MWF | | Name: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide | | Formula: | C18 H19 F2 N5 O4 | | SMILES: | C[CH](Nc1ccc2c(OCCn3cc(nc23)N4[CH](COC4=O)C(F)F)c1)C(N)=O | | InChi: | InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12+/m1/s1 | | Synonyms: | Inavolisib | | Definition date: | 2022-08-08 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | (2~{R})-2-[[2-[(4~{S})-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide |
|
 | | MWU | | Name: | ~{N}-pyridin-2-ylprop-2-enamide | | Formula: | C8 H8 N2 O | | SMILES: | C=CC(=O)Nc1ccccn1 | | InChi: | InChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11) | | Definition date: | 2023-01-05 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | ~{N}-pyridin-2-ylprop-2-enamide |
|
 | | 9NY | | Name: | Hexacosanoyl-CoA | | Formula: | C47 H86 N7 O17 P3 S | | SMILES: | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/t36-,40-,41-,42+,46-/m1/s1 | | Synonyms: | C26:0 Coenzyme A | | Definition date: | 2023-04-14 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] hexacosanethioate |
|
 | | 7TG | | Name: | [(1S,3S,6S,7S,8R,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^1,5]dodecan-9-yl] dihydrogen phosphate | | Formula: | C20 H31 N2 O6 P | | SMILES: | CN[CH]1CN2[CH](Cc3ccc(OC)cc3)[CH](O)[CH]4C[C]2(CC[CH]4O[P](O)(O)=O)C1 | | InChi: | InChI=1S/C20H31N2O6P/c1-21-14-10-20-8-7-18(28-29(24,25)26)16(11-20)19(23)17(22(20)12-14)9-13-3-5-15(27-2)6-4-13/h3-6,14,16-19,21,23H,7-12H2,1-2H3,(H2,24,25,26)/t14-,16-,17-,18-,19-,20+/m0/s1 | | Definition date: | 2021-10-25 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | [(1~{S},3~{S},6~{S},7~{S},8~{R},9~{S})-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^{1,5}]dodecan-9-yl] dihydrogen phosphate |
|
 | | F3Y | | Name: | ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide | | Formula: | C20 H26 N2 O2 | | SMILES: | CCCCCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1 | | InChi: | InChI=1S/C20H26N2O2/c1-3-5-6-13-24-19-12-8-11-18(15-19)21-16-9-7-10-17(14-16)22-20(23)4-2/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,22,23) | | Definition date: | 2023-07-18 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide |
|
 | | I2G | | Name: | (2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid | | Formula: | C12 H20 O2 | | SMILES: | CCCC[CH](C)C=C(C)C=CC(O)=O | | InChi: | InChI=1S/C12H20O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+,11-9+/t10-/m0/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | (2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid |
|
 | | I5L | | Name: | (2~{Z},4~{Z})-2-methyl-5-(8-oxidanyldibenzofuran-4-yl)penta-2,4-dienal | | Formula: | C18 H14 O3 | | SMILES: | CC(C=O)=CC=Cc1cccc2c1oc3ccc(O)cc23 | | InChi: | InChI=1S/C18H14O3/c1-12(11-19)4-2-5-13-6-3-7-15-16-10-14(20)8-9-17(16)21-18(13)15/h2-11,20H,1H3/b5-2-,12-4- | | Definition date: | 2022-06-10 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | (2~{Z},4~{Z})-2-methyl-5-(8-oxidanyldibenzofuran-4-yl)penta-2,4-dienal |
|
 | | B3F | | Name: | ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | | Formula: | C20 H26 N2 O2 | | SMILES: | CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1 | | InChi: | InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23) | | Definition date: | 2023-07-17 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide |
|
 | | J7D | | Name: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol | | Formula: | C6 H14 N O9 P | | SMILES: | OP(OCC(O)C(C(O)CN(O)C=O)O)(=O)O | | InChi: | InChI=1S/C6H14NO9P/c8-3-7(12)1-4(9)6(11)5(10)2-16-17(13,14)15/h3-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-/m0/s1 | | Definition date: | 2018-08-20 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol |
|
 | | ZXN | | Name: | [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate | | Formula: | C14 H16 N3 O5 P | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=NNc2ccccc2)c1O | | InChi: | InChI=1S/C14H16N3O5P/c1-10-14(18)13(8-16-17-12-5-3-2-4-6-12)11(7-15-10)9-22-23(19,20)21/h2-8,17-18H,9H2,1H3,(H2,19,20,21)/b16-8+ | | Definition date: | 2023-07-10 | | Last modified: | 2023-12-06 | | Release date: | 2023-10-25 | | Identifier: | [6-methyl-5-oxidanyl-4-[(~{E})-(phenylhydrazinylidene)methyl]pyridin-3-yl]methyl dihydrogen phosphate |
|
 | | WYL | | Name: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C50 H62 N14 O6 S2 | | SMILES: | CC(C)[CH](n1cc(OCCCCN2CCCN([CH](C)C2)c3nccc(n3)c4noc(n4)[C]5(C)CCCc6sc(N)c(C#N)c56)nn1)C(=O)N7C[CH](O)C[CH]7C(=O)N[CH](CO)c8ccc(cc8)c9scnc9C | | InChi: | InChI=1S/C50H62N14O6S2/c1-29(2)42(47(68)63-25-34(66)22-38(63)46(67)55-37(27-65)32-11-13-33(14-12-32)43-31(4)54-28-71-43)64-26-40(58-60-64)69-21-7-6-18-61-19-9-20-62(30(3)24-61)49-53-17-15-36(56-49)45-57-48(70-59-45)50(5)16-8-10-39-41(50)35(23-51)44(52)72-39/h11-15,17,26,28-30,34,37-38,42,65-66H,6-10,16,18-22,24-25,27,52H2,1-5H3,(H,55,67)/t30-,34+,37-,38-,42-,50-/m0/s1 | | Definition date: | 2023-10-17 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[4-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1~{R})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
|
 | | WYU | | Name: | (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile | | Formula: | C22 H26 N8 O S | | SMILES: | C[CH]1CNCCCN1c2nccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45 | | InChi: | InChI=1S/C22H26N8OS/c1-13-12-25-8-4-10-30(13)21-26-9-6-15(27-21)19-28-20(31-29-19)22(2)7-3-5-16-17(22)14(11-23)18(24)32-16/h6,9,13,25H,3-5,7-8,10,12,24H2,1-2H3/t13-,22-/m0/s1 | | Definition date: | 2023-10-17 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (4~{S})-2-azanyl-4-methyl-4-[3-[2-[(2~{S})-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile |
|
 | | T3X | | Name: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide | | Formula: | C29 H27 F3 N6 O | | SMILES: | FC(F)(F)c1cc(ccc1CN1CCN(C)CC1)NC(=O)c1cc(C#Cc2cc3cn[NH]c3nc2)c(C)cc1 | | InChi: | InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36) | | Definition date: | 2023-08-28 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide |
|
 | | W0F | | Name: | [[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C11 H18 N5 O14 P3 | | SMILES: | CO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23 | | InChi: | InChI=1S/C11H18N5O14P3/c1-26-7-4(2-27-32(22,23)30-33(24,25)29-31(19,20)21)28-10(6(7)17)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10+/m0/s1 | | Definition date: | 2023-09-08 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | [[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
|
 | | XE2 | | Name: | (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde | | Formula: | C15 H10 O3 | | SMILES: | Oc1ccc2cc(ccc2c1C=O)c1ccco1 | | InChi: | InChI=1S/C15H10O3/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-9,17H | | Definition date: | 2023-06-06 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde |
|
 | | WID | | Name: | (2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol | | Formula: | C20 H19 F N6 O2 | | SMILES: | N[CH](CO)Cn1ccc(n1)c2ccc(Oc3ncc(cc3F)c4[nH]ncc4)cc2 | | InChi: | InChI=1S/C20H19FN6O2/c21-17-9-14(18-5-7-24-25-18)10-23-20(17)29-16-3-1-13(2-4-16)19-6-8-27(26-19)11-15(22)12-28/h1-10,15,28H,11-12,22H2,(H,24,25)/t15-/m0/s1 | | Definition date: | 2023-10-04 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol |
|
 | | X18 | | Name: | N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide | | Formula: | C21 H25 Br N4 O2 | | SMILES: | Brc1ccc(nc1)C(C)NC(=O)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C | | InChi: | InChI=1S/C21H25BrN4O2/c1-12(16-9-7-15(22)11-23-16)24-19(27)14-6-8-17-18(10-14)26(20(28)25-17)13(2)21(3,4)5/h6-13H,1-5H3,(H,24,27)(H,25,28)/t12-,13+/m0/s1 | | Definition date: | 2023-05-30 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide |
|
 | | V79 | | Name: | copper;trisodium;18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-21,23-diide-2-carboxylate | | Formula: | C34 H34 Cu N4 O6 | | SMILES: | CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(O)=O)C6=[N+]5[Cu]47[N]8C(=CC1=[N+]27)C(=C(C(O)=O)C8=C6CC(O)=O)C)c(C)c3C=C | | InChi: | InChI=1S/C34H36N4O6.Cu/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23 | | Definition date: | 2023-07-09 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 |
|
 | | VOC | | Name: | 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone | | Formula: | C16 H16 N4 O2 | | SMILES: | CCc1cccc2c([nH]nc12)C(=O)N3CCc4ocnc4C3 | | InChi: | InChI=1S/C16H16N4O2/c1-2-10-4-3-5-11-14(10)18-19-15(11)16(21)20-7-6-13-12(8-20)17-9-22-13/h3-5,9H,2,6-8H2,1H3,(H,18,19) | | Definition date: | 2023-08-02 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 6,7-dihydro-4~{H}-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2~{H}-indazol-3-yl)methanone |
|
 | | UTF | | Name: | (9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid | | Formula: | C43 H58 N6 O8 | | SMILES: | C[CH]1NC(=O)[CH](Cc2ccc(NC(=O)[CH](NC(=O)Cc3ccccc3)C4CCCCC4)cc2)NC(=O)CC5(CCCC5)CC(=O)N[CH](CCCCNC1=O)C(O)=O | | InChi: | InChI=1S/C43H58N6O8/c1-28-39(53)44-23-11-8-16-33(42(56)57)47-36(51)26-43(21-9-10-22-43)27-37(52)48-34(40(54)45-28)24-30-17-19-32(20-18-30)46-41(55)38(31-14-6-3-7-15-31)49-35(50)25-29-12-4-2-5-13-29/h2,4-5,12-13,17-20,28,31,33-34,38H,3,6-11,14-16,21-27H2,1H3,(H,44,53)(H,45,54)(H,46,55)(H,47,51)(H,48,52)(H,49,50)(H,56,57)/t28-,33+,34+,38+/m1/s1 | | Definition date: | 2023-02-13 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid |
|
 | | VOO | | Name: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide | | Formula: | C26 H26 F N5 O2 | | SMILES: | CNc1cc(F)cc2cc([nH]c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5 | | InChi: | InChI=1S/C26H26FN5O2/c1-28-22-15-21(27)13-19-14-23(30-24(19)22)26(34)32-10-6-17-4-5-18(12-20(17)16-32)25(33)29-7-11-31-8-2-3-9-31/h2-5,8-9,12-15,28,30H,6-7,10-11,16H2,1H3,(H,29,33) | | Definition date: | 2023-08-02 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-[[5-fluoranyl-7-(methylamino)-1~{H}-indol-2-yl]carbonyl]-~{N}-(2-pyrrol-1-ylethyl)-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide |
|
 | | Y0M | | Name: | 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide | | Formula: | C14 H13 F N2 O7 S2 | | SMILES: | COc1ncccc1NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O | | InChi: | InChI=1S/C14H13FN2O7S2/c1-22-14-9(3-2-6-16-14)17-26(20,21)11-5-4-10(25(15,18)19)12-13(11)24-8-7-23-12/h2-6,17H,7-8H2,1H3 | | Definition date: | 2022-12-20 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 8-[(2-methoxypyridin-3-yl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride |
|
 | | Y0P | | Name: | 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide | | Formula: | C15 H13 F2 N O7 S2 | | SMILES: | Fc1cc(cc(OC)c1)NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O | | InChi: | InChI=1S/C15H13F2NO7S2/c1-23-11-7-9(16)6-10(8-11)18-27(21,22)13-3-2-12(26(17,19)20)14-15(13)25-5-4-24-14/h2-3,6-8,18H,4-5H2,1H3 | | Definition date: | 2022-12-20 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 8-[(3-fluoro-5-methoxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride |
|
 | | VOZ | | Name: | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone | | Formula: | C21 H21 N3 O | | SMILES: | O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5 | | InChi: | InChI=1S/C21H21N3O/c25-21(24-9-1-2-17-12-22-8-7-18(17)13-24)20-11-16-6-5-15(14-3-4-14)10-19(16)23-20/h5-8,10-12,14,23H,1-4,9,13H2 | | Definition date: | 2023-08-02 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone |
|
 | | VP6 | | Name: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone | | Formula: | C21 H23 F N4 O2 | | SMILES: | CC(C)(O)c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(N)c(F)c4C3 | | InChi: | InChI=1S/C21H23FN4O2/c1-21(2,28)14-6-5-12-8-17(25-16(12)9-14)20(27)26-7-3-4-13-10-24-19(23)18(22)15(13)11-26/h5-6,8-10,25,28H,3-4,7,11H2,1-2H3,(H2,23,24) | | Definition date: | 2023-08-02 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1~{H}-indol-2-yl]methanone |
|
