 | | UOW | | Name: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide | | Formula: | C28 H31 Cl N6 O5 | | SMILES: | COc1cc(ccn1)[CH](CO)NC(=O)[CH](C)N2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl | | InChi: | InChI=1S/C28H31ClN6O5/c1-16(26(37)33-23(15-36)17-5-8-30-24(12-17)39-2)35-14-19-4-3-18(11-21(19)27(35)38)25-22(29)13-31-28(34-25)32-20-6-9-40-10-7-20/h3-5,8,11-13,16,20,23,36H,6-7,9-10,14-15H2,1-2H3,(H,33,37)(H,31,32,34)/t16-,23-/m1/s1 | | Definition date: | 2021-03-03 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide |
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 | | VKA | | Name: | 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | | Formula: | C64 H84 F3 N11 O7 S | | SMILES: | c1(c(ncs1)C)c2ccc(cc2)CNC(=O)C8N(C(=O)C(C(C)(C)C)NC(CCCCCCCCCC(NCCN7CCN(Cc6cc(c5cc(NC(C=3C=NC(=O)CC=3C(F)(F)F)=O)c(N4CCN(CC4)C)cc5)ccc6)CC7)=O)=O)CC(C8)O | | InChi: | InChI=1S/C64H84F3N11O7S/c1-43-58(86-42-71-43)46-20-18-44(19-21-46)38-70-61(84)54-36-49(79)41-78(54)62(85)59(63(2,3)4)73-56(81)17-12-10-8-6-7-9-11-16-55(80)68-24-25-75-28-30-76(31-29-75)40-45-14-13-15-47(34-45)48-22-23-53(77-32-26-74(5)27-33-77)52(35-48)72-60(83)50-39-69-57(82)37-51(50)64(65,66)67/h13-15,18-23,34-35,39,42,49,54,59,79H,6-12,16-17,24-33,36-38,40-41H2,1-5H3,(H,68,80)(H,70,84)(H,72,83)(H,73,81)/t49-,54+,59-/m1/s1 | | Synonyms: | Protac MS33 | | Definition date: | 2020-08-20 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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 | | U0J | | Name: | {(2R)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1H-imidazol-2-yl}(dichloro)ruthenium | | Formula: | C19 H16 Cl2 N2 Ru | | SMILES: | C4=CN(Cc2c1ccccc1cc3ccccc23)C(N4C)[Ru](Cl)Cl | | InChi: | InChI=1S/C19H17N2.2ClH.Ru/c1-20-10-11-21(14-20)13-19-17-8-4-2-6-15(17)12-16-7-3-5-9-18(16)19 | | Definition date: | 2020-04-08 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | {(2R)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1H-imidazol-2-yl}(dichloro)ruthenium |
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 | | JW9 | | Name: | 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol | | Formula: | C20 H21 N O | | SMILES: | Oc1ccc(CN(C)C(C)c2cccc3ccccc32)cc1 | | InChi: | InChI=1S/C20H21NO/c1-15(21(2)14-16-10-12-18(22)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1 | | Definition date: | 2021-09-30 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol |
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 | | 1S2 | | Name: | 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine | | Formula: | C16 H16 Cl N5 | | SMILES: | Cn1nc(c(Cc2ccccc2)c1C)c3cc(Cl)nc(N)n3 | | InChi: | InChI=1S/C16H16ClN5/c1-10-12(8-11-6-4-3-5-7-11)15(21-22(10)2)13-9-14(17)20-16(18)19-13/h3-7,9H,8H2,1-2H3,(H2,18,19,20) | | Synonyms: | inhibitor TDI10229 | | Definition date: | 2021-06-14 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine |
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 | | 4VI | | Name: | (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid | | Formula: | C6 H10 N4 O2 | | SMILES: | N=C(CC=CNC(=N)N)C(=O)O | | InChi: | InChI=1S/C6H10N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3,7H,2H2,(H,11,12)(H4,8,9,10)/b3-1+,7-4- | | Definition date: | 2021-07-15 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid |
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 | | 5YY | | Name: | ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate | | Formula: | C34 H39 N8 O6 | | SMILES: | CCOC(=O)CNC(=O)CN(Cc1ccc2nc(n(CC3CCOCC3)c2c1)C4=CN(C)C(=O)C(=C4)C)C(=O)c5ccc(cc5)N=[N+]=N | | InChi: | InChI=1S/C34H38N8O6/c1-4-48-31(44)17-36-30(43)21-41(34(46)25-6-8-27(9-7-25)38-39-35)18-24-5-10-28-29(16-24)42(19-23-11-13-47-14-12-23)32(37-28)26-15-22(2)33(45)40(3)20-26/h5-10,15-16,20,23,35H,4,11-14,17-19,21H2,1-3H3/p+1 | | Definition date: | 2021-07-20 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | azanylidene-[4-[[2-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]methyl-[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]imino-azanium |
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 | | 5Z1 | | Name: | 4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide | | Formula: | C50 H60 N6 O9 | | SMILES: | CN(CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c1ccc(cc1)C(=O)c2ccccc2)c3ccc4nc(n(CC5CCOCC5)c4c3)C6=CN(C)C(=O)C(=C6)C | | InChi: | InChI=1S/C50H60N6O9/c1-5-22-61-28-29-63-25-19-51-46(57)36-55(50(60)41-13-11-40(12-14-41)47(58)39-9-7-6-8-10-39)21-27-65-31-30-64-26-20-53(3)43-15-16-44-45(33-43)56(34-38-17-23-62-24-18-38)48(52-44)42-32-37(2)49(59)54(4)35-42/h1,6-16,32-33,35,38H,17-31,34,36H2,2-4H3,(H,51,57) | | Definition date: | 2021-07-20 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | ~{N}-[2-[2-[2-[[2-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-methyl-amino]ethoxy]ethoxy]ethyl]-~{N}-[2-oxidanylidene-2-[2-(2-prop-2-ynoxyethoxy)ethylamino]ethyl]-4-(phenylcarbonyl)benzamide |
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 | | 5Z4 | | Name: | ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate | | Formula: | C34 H35 F4 N8 O6 | | SMILES: | CCOC(=O)CNC(=O)CN(Cc1ccc2nc(n(CC3CCOCC3)c2c1)C4=CN(C)C(=O)C(=C4)C)C(=O)c5c(F)c(F)c(N=[N+]=N)c(F)c5F | | InChi: | InChI=1S/C34H34F4N8O6/c1-4-52-25(48)13-40-24(47)17-45(34(50)26-27(35)29(37)31(42-43-39)30(38)28(26)36)14-20-5-6-22-23(12-20)46(15-19-7-9-51-10-8-19)32(41-22)21-11-18(2)33(49)44(3)16-21/h5-6,11-12,16,19,39H,4,7-10,13-15,17H2,1-3H3/p+1 | | Definition date: | 2021-07-20 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | azanylidene-[4-[[2-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]methyl-[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-2,3,5,6-tetrakis(fluoranyl)phenyl]imino-azanium |
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 | | QJT | | Name: | 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one | | Formula: | C21 H32 N2 O | | SMILES: | CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 | | InChi: | InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3 | | Definition date: | 2020-06-18 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one |
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 | | QK2 | | Name: | 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one | | Formula: | C18 H24 F N3 O2 | | SMILES: | Cc1cc(F)c2NC(=O)N(C3CCN(CC3)C4CCOCC4)c2c1 | | InChi: | InChI=1S/C18H24FN3O2/c1-12-10-15(19)17-16(11-12)22(18(23)20-17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23) | | Definition date: | 2020-06-18 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one |
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 | | QK8 | | Name: | ethyl (4~{S})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate | | Formula: | C20 H35 N3 O3 | | SMILES: | CCOC(=O)N1CCC[CH](CC1)N2CCC(CC2)C(=O)NC3(C)CCC3 | | InChi: | InChI=1S/C20H35N3O3/c1-3-26-19(25)23-12-4-6-17(9-15-23)22-13-7-16(8-14-22)18(24)21-20(2)10-5-11-20/h16-17H,3-15H2,1-2H3,(H,21,24)/t17-/m0/s1 | | Definition date: | 2020-06-18 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | ethyl (4~{S})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate |
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 | | QTU | | Name: | 3-(thiophen-2-yl)propanoic acid | | Formula: | C7 H8 O2 S | | SMILES: | C(CCc1cccs1)(=O)O | | InChi: | InChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9) | | Definition date: | 2020-09-13 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-(thiophen-2-yl)propanoic acid |
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 | | R2W | | Name: | 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide | | Formula: | C16 H19 N3 O3 S2 | | SMILES: | N[S](=O)(=O)c1ccc(NC(=S)NCCCOc2ccccc2)cc1 | | InChi: | InChI=1S/C16H19N3O3S2/c17-24(20,21)15-9-7-13(8-10-15)19-16(23)18-11-4-12-22-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H2,17,20,21)(H2,18,19,23) | | Synonyms: | 1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea | | Definition date: | 2020-08-26 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea |
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 | | R4H | | Name: | 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one | | Formula: | C27 H34 N6 O3 | | SMILES: | COc1ccc(cc1OCc2ccc(cc2)c3[nH]nnn3)[CH]4NN(C5CCCCCC5)C(=O)C4(C)C | | InChi: | InChI=1S/C27H34N6O3/c1-27(2)24(30-33(26(27)34)21-8-6-4-5-7-9-21)20-14-15-22(35-3)23(16-20)36-17-18-10-12-19(13-11-18)25-28-31-32-29-25/h10-16,21,24,30H,4-9,17H2,1-3H3,(H,28,29,31,32)/t24-/m1/s1 | | Definition date: | 2020-09-01 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one |
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 | | R4T | | Name: | 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine | | Formula: | C20 H24 F2 N10 O8 P2 S2 | | SMILES: | [NH3+]c1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](S)(=O)O[CH]4[CH]3F)n6cnc7c([NH3+])ncnc67 | | InChi: | InChI=1S/C20H22F2N10O8P2S2/c21-9-13-7(37-19(9)31-5-29-11-15(23)25-3-27-17(11)31)1-35-41(33,43)40-14-8(2-36-42(34,44)39-13)38-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,43)(H,34,44)(H2,23,25,27)(H2,24,26,28)/t7-,8-,9-,10-,13-,14-,19-,20-,41-,42-/m1/s1 | | Definition date: | 2020-09-02 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | [9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-17-(6-azaniumylpurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-yl]azanium |
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 | | R5N | | Name: | Ni-substituted Keggin silicotungstate | | Formula: | Ni O39 Si W11 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O1[Si]23[O]45[W]678O[Ni]9%10O[W]%11%12O[W]1%13(O9)O[W]%14%15%16O[W]%17(O%10)(O6)O[W]%18(O%14)(O[W]4%19(O7)O[W]5(O%11)(O8)O[W]%20%21(O%12)O[W]%22(O%13)(O%15)O[W](O%20)(O%19)(O%18)[O]2%21%22)[O]3%16%17 | | InChi: | InChI=1S/Ni.O4Si.11H2O.24O.11W/c | | Definition date: | 2020-09-02 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | R5Q | | Name: | Co-substituted Keggin silicotungstate | | Formula: | Co O39 Si W11 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O1[Si]23[O]45[W]678O[Co]9%10O[W]%11%12O[W]1%13(O9)O[W]%14%15%16O[W]%17(O%10)(O6)O[W]%18(O%14)(O[W]4%19(O7)O[W]5(O%11)(O8)O[W]%20%21(O%12)O[W]%22(O%13)(O%15)O[W](O%20)(O%19)(O%18)[O]2%21%22)[O]3%16%17 | | InChi: | InChI=1S/Co.O4Si.11H2O.24O.11W/c | | Definition date: | 2020-09-02 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | R5Z | | Name: | 1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one | | Formula: | C27 H34 N2 O3 | | SMILES: | COc1ccc(cc1OC=Cc2ccccc2)[CH]3NN(C4CCCCCC4)C(=O)C3(C)C | | InChi: | InChI=1S/C27H34N2O3/c1-27(2)25(28-29(26(27)30)22-13-9-4-5-10-14-22)21-15-16-23(31-3)24(19-21)32-18-17-20-11-7-6-8-12-20/h6-8,11-12,15-19,22,25,28H,4-5,9-10,13-14H2,1-3H3/b18-17+/t25-/m1/s1 | | Synonyms: | 2-cycloheptyl-5-[4-methoxy-3-[(~{E})-2-phenylethenoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one | | Definition date: | 2020-09-02 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 2-cycloheptyl-5-[4-methoxy-3-[(~{E})-2-phenylethenoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one |
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 | | R8W | | Name: | 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C21 H20 N4 O2 | | SMILES: | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(Cn4cncn4)cc3 | | InChi: | InChI=1S/C21H20N4O2/c1-13(2)16-4-3-5-17-18(20(21(26)27)24-19(16)17)15-8-6-14(7-9-15)10-25-12-22-11-23-25/h3-9,11-13,24H,10H2,1-2H3,(H,26,27) | | Definition date: | 2020-09-18 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | R9K | | Name: | 3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid | | Formula: | C16 H12 Cl N O2 | | SMILES: | Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3Cl | | InChi: | InChI=1S/C16H12ClNO2/c1-9-5-4-7-11-13(10-6-2-3-8-12(10)17)15(16(19)20)18-14(9)11/h2-8,18H,1H3,(H,19,20) | | Definition date: | 2020-09-21 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid |
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 | | RBW | | Name: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid | | Formula: | C20 H20 Cl N O4 S | | SMILES: | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](C)(=O)=O)c(Cl)c3 | | InChi: | InChI=1S/C20H20ClNO4S/c1-11(2)14-5-4-6-15-17(19(20(23)24)22-18(14)15)12-7-8-13(16(21)9-12)10-27(3,25)26/h4-9,11,22H,10H2,1-3H3,(H,23,24) | | Definition date: | 2020-09-23 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
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 | | RCK | | Name: | ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C25 H27 F N6 O S | | SMILES: | Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5ccccc5)ncc24 | | InChi: | InChI=1S/C25H27FN6OS/c26-22-9-5-4-8-20(22)16-27-23-21-17-28-32(11-10-19-6-2-1-3-7-19)24(21)30-25(29-23)34-18-31-12-14-33-15-13-31/h1-9,17H,10-16,18H2,(H,27,29,30) | | Definition date: | 2020-09-24 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | RDH | | Name: | 3-[(1-Carboxyvinyl)oxy]benzoic acid | | Formula: | C10 H8 O5 | | SMILES: | OC(=O)C(=C)Oc1cccc(c1)C(O)=O | | InChi: | InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14) | | Synonyms: | 3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid | | Definition date: | 2020-09-25 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid |
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 | | RLW | | Name: | 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one | | Formula: | C17 H22 N2 O3 | | SMILES: | COc1ccc(cc1OC2CCCC2)C3=NNC(=O)C3(C)C | | InChi: | InChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20) | | Definition date: | 2020-10-08 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one |
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