 | | EIO | | Name: | (3R)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine | | Formula: | C13 H20 N5 O2 S2 | | SMILES: | NS(N)(O)C1(CC1)c1cc(nc(SC)n1)N1CCOCC1C | | InChi: | InChI=1S/C13H20N5O2S2/c1-9-8-20-6-5-18(9)11-7-10(16-12(17-11)21-2)13(3-4-13)22(14,15)19/h7,9,14-15H,3-6,8H2,1-2H3/q+1/t9-/m1/s1 | | Definition date: | 2021-12-07 | | Last modified: | 2022-01-14 | | Release date: | 2022-01-19 | | Identifier: | (3R)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine |
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 | | H9C | | Name: | Bis(1,10-phenanthroline)platinum(II) | | Formula: | C24 H16 N4 Pt | | SMILES: | [Pt].c1cnc2c(c1)ccc3cccnc23.c4cnc5c(c4)ccc6cccnc56 | | InChi: | InChI=1S/2C12H8N2.Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1 | | Definition date: | 2020-12-01 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 |
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 | | XR7 | | Name: | N,N'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide) | | Formula: | C44 H50 N4 O11 S2 | | SMILES: | c1(NS(CC)(=O)=O)ccc(c(c1)C=3c2ccccc2C(N(C=3)C)=O)OCCOCCOCCOCCOc4c(cc(cc4)NS(CC)(=O)=O)C5=CN(C)C(=O)c6ccccc56 | | InChi: | InChI=1S/C44H50N4O11S2/c1-5-60(51,52)45-31-15-17-41(37(27-31)39-29-47(3)43(49)35-13-9-7-11-33(35)39)58-25-23-56-21-19-55-20-22-57-24-26-59-42-18-16-32(46-61(53,54)6-2)28-38(42)40-30-48(4)44(50)36-14-10-8-12-34(36)40/h7-18,27-30,45-46H,5-6,19-26H2,1-4H3 | | Definition date: | 2021-01-07 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | N,N'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide) |
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 | | ZFG | | Name: | 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline | | Formula: | C16 H19 N S | | SMILES: | C/C(=CC)c1ccc(s1)c1ccc(cc1)N(C)C | | InChi: | InChI=1S/C16H19NS/c1-5-12(2)15-10-11-16(18-15)13-6-8-14(9-7-13)17(3)4/h5-11H,1-4H3/b12-5+ | | Definition date: | 2021-04-16 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline |
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 | | XXS | | Name: | 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-indazole | | Formula: | C20 H24 N6 O2 S | | SMILES: | C1(C)COCCN1c5cc(C2(S(C)(=N)=O)CC2)nc(c4cccc3c4cnn3)n5 | | InChi: | InChI=1S/C20H24N6O2S/c1-13-12-28-9-8-26(13)18-10-17(20(6-7-20)29(2,21)27)23-19(24-18)14-4-3-5-16-15(14)11-22-25-16/h3-5,10-11,13,21H,6-9,12H2,1-2H3,(H,22,25)/t13-,29-/m1/s1 | | Definition date: | 2021-01-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-indazole |
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 | | V4Q | | Name: | N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide | | Formula: | C28 H24 F N7 O2 | | SMILES: | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4cccc5nccnc45)n2c6ccccc6F | | InChi: | InChI=1S/C28H24FN7O2/c1-2-38-19-10-11-23(32-16-19)27-35-34-26(36(27)24-9-4-3-7-21(24)29)17-14-18(15-17)33-28(37)20-6-5-8-22-25(20)31-13-12-30-22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18- | | Synonyms: | 146282356 | | Definition date: | 2021-04-12 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide |
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 | | V5Q | | Name: | ~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide | | Formula: | C38 H38 N6 O7 | | SMILES: | COc1cc2CCN(CCc3ccc(cc3)n4nnc(n4)c5cc(OC)c(OC)cc5NC(=O)[CH]6CC(=O)c7ccccc7O6)Cc2cc1OC | | InChi: | InChI=1S/C38H38N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-20,36H,13-16,21-22H2,1-4H3,(H,39,46)/t36-/m1/s1 | | Definition date: | 2021-04-19 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide |
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 | | T0B | | Name: | [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone | | Formula: | C23 H27 N5 O4 | | SMILES: | COc1cc2nc(nc(N)c2cc1OC)N3CCN([CH]4CCCC[CH]34)C(=O)c5occc5 | | InChi: | InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1 | | Definition date: | 2020-12-08 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone |
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 | | T1W | | Name: | [(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone | | Formula: | C11 H20 N2 O2 | | SMILES: | C[CH]1CCCCN1C(=O)N2CCOCC2 | | InChi: | InChI=1S/C11H20N2O2/c1-10-4-2-3-5-13(10)11(14)12-6-8-15-9-7-12/h10H,2-9H2,1H3/t10-/m0/s1 | | Definition date: | 2020-12-13 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | [(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone |
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 | | T9Z | | Name: | 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol | | Formula: | C15 H18 N O2 | | SMILES: | Oc1c(C[NH+]2CCOCC2)ccc3ccccc13 | | InChi: | InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2/p+1 | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol |
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 | | TB5 | | Name: | 4-(4-pyrrol-1-ylphenyl)morpholine | | Formula: | C14 H16 N2 O | | SMILES: | C1CN(CCO1)c2ccc(cc2)n3cccc3 | | InChi: | InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2 | | Synonyms: | 4-[4-(1H-pyrrol-1-yl)phenyl]morpholine | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-(4-pyrrol-1-ylphenyl)morpholine |
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 | | BVI | | Name: | 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine | | Formula: | C20 H23 N5 O | | SMILES: | Cc1n(ncc1Nc1nc2c(cccc2cn1)C1CC1)C1CCOCC1 | | InChi: | InChI=1S/C20H23N5O/c1-13-18(12-22-25(13)16-7-9-26-10-8-16)23-20-21-11-15-3-2-4-17(14-5-6-14)19(15)24-20/h2-4,11-12,14,16H,5-10H2,1H3,(H,21,23,24) | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine |
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 | | BWI | | Name: | 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile | | Formula: | C21 H22 N6 O | | SMILES: | N#CC1(CC1)c1cccc2cnc(nc12)Nc1cnn(C2CCOCC2)c1C | | InChi: | InChI=1S/C21H22N6O/c1-14-18(12-24-27(14)16-5-9-28-10-6-16)25-20-23-11-15-3-2-4-17(19(15)26-20)21(13-22)7-8-21/h2-4,11-12,16H,5-10H2,1H3,(H,23,25,26) | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile |
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 | | BXI | | Name: | 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol | | Formula: | C23 H28 Cl2 N6 O2 | | SMILES: | CC(C)(O)Cn1ncc(Nc2nc3cc(C4CCN(CC4)C4COC4)c(Cl)cc3cn2)c1Cl | | InChi: | InChI=1S/C23H28Cl2N6O2/c1-23(2,32)13-31-21(25)20(10-27-31)29-22-26-9-15-7-18(24)17(8-19(15)28-22)14-3-5-30(6-4-14)16-11-33-12-16/h7-10,14,16,32H,3-6,11-13H2,1-2H3,(H,26,28,29) | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol |
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 | | BYL | | Name: | (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol | | Formula: | C25 H29 Cl F2 N6 O2 | | SMILES: | OC1COCC1(C)N1CCC(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3C)ncc2cc1Cl | | InChi: | InChI=1S/C25H29ClF2N6O2/c1-14-20(11-30-34(14)21-9-25(21,27)28)32-23-29-10-16-7-18(26)17(8-19(16)31-23)15-3-5-33(6-4-15)24(2)13-36-12-22(24)35/h7-8,10-11,15,21-22,35H,3-6,9,12-13H2,1-2H3,(H,29,31,32)/t21-,22+,24-/m1/s1 | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol |
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 | | R2J | | Name: | N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine | | Formula: | C10 H13 N3 | | SMILES: | c2c1n(C)nc(c1ccc2)CNC | | InChi: | InChI=1S/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3 | | Definition date: | 2020-01-27 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine |
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 | | 1K8 | | Name: | 3-chloranyl-2-piperazin-1-yl-quinoline | | Formula: | C13 H14 Cl N3 | | SMILES: | Clc1cc2ccccc2nc1N3CCNCC3 | | InChi: | InChI=1S/C13H14ClN3/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2 | | Synonyms: | BDM88855 | | Definition date: | 2021-06-13 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 3-chloranyl-2-piperazin-1-yl-quinoline |
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 | | 1KE | | Name: | 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine | | Formula: | C9 H11 Cl I N3 | | SMILES: | Clc1cc(I)cnc1N2CCNCC2 | | InChi: | InChI=1S/C9H11ClIN3/c10-8-5-7(11)6-13-9(8)14-3-1-12-2-4-14/h5-6,12H,1-4H2 | | Synonyms: | BDM88832 | | Definition date: | 2021-06-13 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine |
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 | | 1RI | | Name: | 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide | | Formula: | C22 H16 N4 O3 S | | SMILES: | O=C(NN=Cc1oc(Sc2ncccn2)cc1)c3cccc(Oc4ccccc4)c3 | | InChi: | InChI=1S/C22H16N4O3S/c27-21(16-6-4-9-18(14-16)28-17-7-2-1-3-8-17)26-25-15-19-10-11-20(29-19)30-22-23-12-5-13-24-22/h1-15H,(H,26,27)/b25-15+ | | Definition date: | 2021-07-06 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide |
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 | | 7V5 | | Name: | ~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine | | Formula: | C20 H24 N4 | | SMILES: | C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c4ccccc14 | | InChi: | InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)/p+2 | | Definition date: | 2021-09-07 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 3-(10~{H}-indolo[3,2-b]quinolin-5-ium-11-ylamino)propyl-dimethyl-azanium |
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 | | G5R | | Name: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea | | Formula: | C27 H41 N5 O4 | | SMILES: | COc1cc(ccc1OCCN2CCOCC2)N(CC3CCCC3)C(=O)NCCCn4cncc4C | | InChi: | InChI=1S/C27H41N5O4/c1-22-19-28-21-31(22)11-5-10-29-27(33)32(20-23-6-3-4-7-23)24-8-9-25(26(18-24)34-2)36-17-14-30-12-15-35-16-13-30/h8-9,18-19,21,23H,3-7,10-17,20H2,1-2H3,(H,29,33) | | Definition date: | 2020-07-28 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea |
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 | | 6IC | | Name: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol | | Formula: | C33 H31 F3 N6 O2 | | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccc(F)c(C#C)c21 | | InChi: | InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20-,21+,33+/m1/s1 | | Synonyms: | MRTX-1133 | | Definition date: | 2021-08-05 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol |
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 | | YTD | | Name: | 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one | | Formula: | C21 H26 N2 O2 | | SMILES: | CC(C)(NCc1ccc2c(CCC(=O)N2C)c1)C(O)c1ccccc1 | | InChi: | InChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1 | | Definition date: | 2021-03-31 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one |
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 | | B1I | | Name: | N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | | Formula: | C19 H24 F N5 O | | SMILES: | Fc1cccc(c1)N1CCCC(C1)Nc1cc(ncn1)N1CCOCC1 | | InChi: | InChI=1S/C19H24FN5O/c20-15-3-1-5-17(11-15)25-6-2-4-16(13-25)23-18-12-19(22-14-21-18)24-7-9-26-10-8-24/h1,3,5,11-12,14,16H,2,4,6-10,13H2,(H,21,22,23)/t16-/m1/s1 | | Definition date: | 2021-11-11 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine |
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 | | 5KM | | Name: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid | | Formula: | C17 H17 N O6 | | SMILES: | OC[CH]1OC=C[CH](OCc2ccc3ccc(cc3n2)C(O)=O)[CH]1O | | InChi: | InChI=1S/C17H17NO6/c19-8-15-16(20)14(5-6-23-15)24-9-12-4-3-10-1-2-11(17(21)22)7-13(10)18-12/h1-7,14-16,19-20H,8-9H2,(H,21,22)/t14-,15-,16-/m1/s1 | | Definition date: | 2021-07-13 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid |
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