 | | UPT | | Name: | 1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione | | Formula: | C9 H11 N2 O7 P S | | SMILES: | S=P1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)O | | InChi: | InChI=1S/C9H11N2O7PS/c12-3-4-6-7(18-19(15,20)17-6)8(16-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,20)(H,10,13,14)/t4-,6-,7-,8-,19-/m1/s1 | | Definition date: | 2014-10-20 | | Last modified: | 2015-01-09 | | Release date: | 2015-01-14 | | Identifier: | 1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione |
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 | | UCG | | Name: | 3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate) | | Formula: | C19 H24 N7 O18 P3 | | SMILES: | O=P(O)(O)OCC6OC(N1C=CC(=O)NC1=O)C(O)C6OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C5OP(=O)(O)OC45 | | InChi: | InChI=1S/C19H24N7O18P3/c20-18-23-14-9(15(29)24-18)21-5-26(14)17-13-12(43-47(36,37)44-13)7(41-17)4-39-46(34,35)42-11-6(3-38-45(31,32)33)40-16(10(11)28)25-2-1-8(27)22-19(25)30/h1-2,5-7,10-13,16-17,28H,3-4H2,(H,34,35)(H,36,37)(H,22,27,30)(H2,31,32,33)(H3,20,23,24,29)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1 | | Definition date: | 2014-08-19 | | Last modified: | 2015-01-09 | | Release date: | 2015-01-14 | | Identifier: | 3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate) |
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 | | 40Q | | Name: | 4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid | | Formula: | C14 H16 N6 O3 | | SMILES: | O=C(O)c1ccc(cc1)NCC3NC2=C(N=C(N)NC2=O)NC3 | | InChi: | InChI=1S/C14H16N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,9,16,18H,5-6H2,(H,22,23)(H4,15,17,19,20,21)/t9-/m0/s1 | | Definition date: | 2015-01-06 | | Last modified: | 2015-01-09 | | Release date: | 2015-01-14 | | Identifier: | 4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid |
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 | | 39S | | Name: | N-[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid | | Formula: | C29 H37 N9 O12 | | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC3NC2=C(N=C(N)NC2=O)NC3)CCC(=O)O | | InChi: | InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/t15-,16-,17-,18-/m0/s1 | | Definition date: | 2014-07-11 | | Last modified: | 2015-01-09 | | Release date: | 2015-01-14 | | Identifier: | N-[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid |
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 | | 06S | | Name: | O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioate | | Formula: | C19 H26 N7 O16 P3 S3 | | SMILES: | O=P(O)(S)OC1C(O)C(OC1COP(=O)(S)OC3C(OC(N2C(=O)NC(=O)C=C2)C3O)COP(=O)(O)S)n4c5NC(=NC(=O)c5nc4)N | | InChi: | InChI=1S/C19H26N7O16P3S3/c20-18-23-14-9(15(30)24-18)21-5-26(14)17-10(28)12(41-44(34,35)47)7(40-17)4-38-45(36,48)42-13-6(3-37-43(32,33)46)39-16(11(13)29)25-2-1-8(27)22-19(25)31/h1-2,5-7,10-13,16-17,28-29H,3-4H2,(H,36,48)(H,22,27,31)(H2,32,33,46)(H2,34,35,47)(H3,20,23,24,30)/t6-,7-,10-,11-,12-,13-,16-,17-,45+/m1/s1 | | Definition date: | 2014-10-17 | | Last modified: | 2015-01-09 | | Release date: | 2015-01-14 | | Identifier: | O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioate (non-preferred name) |
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 | | 3K6 | | Name: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide | | Formula: | C22 H24 N6 O2 S | | SMILES: | O=S(=O)(N(C)C)c5ccc(c1c4n(nc1)CC(N(c3ccnc2nccc23)C4)C)cc5 | | InChi: | InChI=1S/C22H24N6O2S/c1-15-13-28-21(14-27(15)20-9-11-24-22-18(20)8-10-23-22)19(12-25-28)16-4-6-17(7-5-16)31(29,30)26(2)3/h4-12,15H,13-14H2,1-3H3,(H,23,24)/t15-/m1/s1 | | Definition date: | 2014-08-29 | | Last modified: | 2014-12-26 | | Release date: | 2014-12-31 | | Identifier: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide |
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 | | W13 | | Name: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one | | Formula: | C23 H22 Cl3 N O3 S | | SMILES: | Clc4ccccc4SC3=C(O)CC(c2c(Cl)c(NC1CCOCC1)ccc2Cl)CC3=O | | InChi: | InChI=1S/C23H22Cl3NO3S/c24-15-3-1-2-4-20(15)31-23-18(28)11-13(12-19(23)29)21-16(25)5-6-17(22(21)26)27-14-7-9-30-10-8-14/h1-6,13-14,27-28H,7-12H2/t13-/m1/s1 | | Definition date: | 2014-08-26 | | Last modified: | 2014-12-19 | | Release date: | 2014-12-24 | | Identifier: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one |
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 | | 3P0 | | Name: | 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile | | Formula: | C36 H38 F N7 O3 | | SMILES: | N#CC(c5cc(F)c6C(=O)N(c1cccc(c1CO)C=2C=C(C(=O)N(C=2)C)Nc4ncc(N3CCN(C)CC3)cc4)CCc6c5)(C)C | | InChi: | InChI=1S/C36H38FN7O3/c1-36(2,22-38)25-16-23-10-11-44(35(47)33(23)29(37)18-25)31-7-5-6-27(28(31)21-45)24-17-30(34(46)42(4)20-24)40-32-9-8-26(19-39-32)43-14-12-41(3)13-15-43/h5-9,16-20,45H,10-15,21H2,1-4H3,(H,39,40) | | Definition date: | 2014-09-30 | | Last modified: | 2014-12-19 | | Release date: | 2014-12-24 | | Identifier: | 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile |
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 | | 3YS | | Name: | N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | Formula: | C18 H16 F2 N4 O2 S | | SMILES: | Fc1ccc(nc1)C(=O)Nc2cc(c(F)cc2)C43N=C(SCC3COC4)N | | InChi: | InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1 | | Definition date: | 2014-12-10 | | Last modified: | 2014-12-19 | | Release date: | 2014-12-24 | | Identifier: | N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide |
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 | | IES | | Name: | propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | | Formula: | C30 H40 N4 O6 | | SMILES: | O=C(NO)CCCCCCC(=O)Nc3ccc(c1ccc2c(c1)C(NC(=O)OC(C)C)CC(N2C(=O)C)C)cc3 | | InChi: | InChI=1S/C30H40N4O6/c1-19(2)40-30(38)32-26-17-20(3)34(21(4)35)27-16-13-23(18-25(26)27)22-11-14-24(15-12-22)31-28(36)9-7-5-6-8-10-29(37)33-39/h11-16,18-20,26,39H,5-10,17H2,1-4H3,(H,31,36)(H,32,38)(H,33,37)/t20-,26+/m0/s1 | | Definition date: | 2014-01-13 | | Last modified: | 2014-12-19 | | Release date: | 2014-12-24 | | Identifier: | propan-2-yl [(2S,4R)-1-acetyl-6-(4-{[8-(hydroxyamino)-8-oxooctanoyl]amino}phenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate |
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 | | 2Q8 | | Name: | 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide | | Formula: | C21 H25 N3 O2 | | SMILES: | O=C(N)c4ccc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C3)(C)C)cc4 | | InChi: | InChI=1S/C21H25N3O2/c1-21(2)10-16-19(18(25)11-21)15-8-9-23(3)12-17(15)24(16)14-6-4-13(5-7-14)20(22)26/h4-7H,8-12H2,1-3H3,(H2,22,26) | | Definition date: | 2014-01-07 | | Last modified: | 2014-12-19 | | Release date: | 2014-12-24 | | Identifier: | 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide |
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 | | 83T | | Name: | propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | | Formula: | C24 H31 N3 O3 | | SMILES: | O=C(OC(C)C)NC3c2c(ccc(c1ccc(cc1)CNC)c2)N(C(=O)C)C(C3)C | | InChi: | InChI=1S/C24H31N3O3/c1-15(2)30-24(29)26-22-12-16(3)27(17(4)28)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-25-5/h6-11,13,15-16,22,25H,12,14H2,1-5H3,(H,26,29)/t16-,22+/m0/s1 | | Definition date: | 2014-01-13 | | Last modified: | 2014-12-19 | | Release date: | 2014-12-24 | | Identifier: | propan-2-yl [(2S,4R)-1-acetyl-2-methyl-6-{4-[(methylamino)methyl]phenyl}-1,2,3,4-tetrahydroquinolin-4-yl]carbamate |
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 | | V78 | | Name: | methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Formula: | C40 H55 N5 O6 S | | SMILES: | COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)C)cc2)Cc3ccc(cc3)[CH]4C[CH]=[S]=[CH]4)C(C)(C)C | | InChi: | InChI=1S/C40H55N5O6S/c1-27(2)33-35(46)41-21-8-7-10-28-11-13-29(14-12-28)24-40(50,37(48)42-33)20-9-22-45(44-36(47)34(39(3,4)5)43-38(49)51-6)25-30-15-17-31(18-16-30)32-19-23-52-26-32/h7-8,11-18,23,26-27,32-34,50H,9-10,19-22,24-25H2,1-6H3,(H,41,46)(H,42,48)(H,43,49)(H,44,47)/b8-7-/t32-,33+,34-,40-/m1/s1 | | Definition date: | 2014-02-08 | | Last modified: | 2014-12-12 | | Release date: | 2014-12-17 | | Identifier: | methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate |
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 | | 1T8 | | Name: | methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | | Formula: | C41 H54 N6 O6 | | SMILES: | O=C(OC)NC(C(=O)NN(Cc2ccc(c1cccnc1)cc2)CCCC4(O)C(=O)NC(C(=O)NCC=CCc3ccc(cc3)C4)C(C)C)C(C)(C)C | | InChi: | InChI=1S/C41H54N6O6/c1-28(2)34-36(48)43-23-8-7-11-29-13-15-30(16-14-29)25-41(52,38(50)44-34)21-10-24-47(46-37(49)35(40(3,4)5)45-39(51)53-6)27-31-17-19-32(20-18-31)33-12-9-22-42-26-33/h7-9,12-20,22,26,28,34-35,52H,10-11,21,23-25,27H2,1-6H3,(H,43,48)(H,44,50)(H,45,51)(H,46,49)/b8-7-/t34-,35+,41+/m0/s1 | | Definition date: | 2014-02-08 | | Last modified: | 2014-12-12 | | Release date: | 2014-12-17 | | Identifier: | methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate |
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 | | 3G6 | | Name: | (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) | | Formula: | C22 H32 O3 | | SMILES: | O=C(O)C(C)C4CCC3C2C(C1(C(=CC(=O)CC1)CC2)C)CCC34C | | InChi: | InChI=1S/C22H32O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h12-13,16-19H,4-11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1 | | Definition date: | 2014-08-14 | | Last modified: | 2014-12-12 | | Release date: | 2014-12-17 | | Identifier: | (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) |
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 | | 1UA | | Name: | 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one | | Formula: | C15 H16 N2 O S | | SMILES: | O=C2C3=C(N=C(SCc1ccc(cc1)C)N2)CCC3 | | InChi: | InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18) | | Definition date: | 2013-06-05 | | Last modified: | 2014-12-05 | | Release date: | 2014-12-10 | | Identifier: | 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
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 | | J1R | | Name: | (1R,19R) cobalt tetradehydrocorrin | | Formula: | C33 H37 Co N4 O4 | | SMILES: | CC1=C(C)[C]2(C)N|3=C1C=C4N|5=C(C=c6n7[Co+]|3|5|N8=C(C=c7c(C)c6CCC(O)=O)C(=C(C)[C]28C)C)C(=C4C)CCC(O)=O | | InChi: | InChI=1S/C33H38N4O4.Co/c1-16-20(5)32(7)33(8)21(6)17(2)27(37-33)14-25-19(4)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)18(3)24(34-28)13-26(16)36-32 | | Definition date: | 2014-06-19 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 |
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 | | J1S | | Name: | (1S,19S) cobalt tetradehydrocorrin | | Formula: | C33 H37 Co N4 O4 | | SMILES: | CC1=C(C)[C]2(C)N|3=C1C=C4N|5=C(C=c6n7[Co+]|3|5|N8=C(C=c7c(C)c6CCC(O)=O)C(=C(C)[C]28C)C)C(=C4C)CCC(O)=O | | InChi: | InChI=1S/C33H38N4O4.Co/c1-16-20(5)32(7)33(8)21(6)17(2)27(37-33)14-25-19(4)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)18(3)24(34-28)13-26(16)36-32 | | Definition date: | 2014-06-19 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 |
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 | | 3UW | | Name: | (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one | | Formula: | C20 H19 F N4 O3 | | SMILES: | Fc1ncccc1c5cc3c(OC4CCCOC4C32N=C(N)N(C2=O)C)cc5 | | InChi: | InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20-/m0/s1 | | Definition date: | 2014-11-07 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 | | Identifier: | (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one |
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 | | 3UX | | Name: | (4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one | | Formula: | C21 H21 F N4 O3 | | SMILES: | Fc1ncccc1c5cc4c(OC2(CCCOC2C43N=C(N)N(C3=O)C)C)cc5 | | InChi: | InChI=1S/C21H21FN4O3/c1-20-8-4-10-28-17(20)21(18(27)26(2)19(23)25-21)14-11-12(6-7-15(14)29-20)13-5-3-9-24-16(13)22/h3,5-7,9,11,17H,4,8,10H2,1-2H3,(H2,23,25)/t17-,20-,21+/m1/s1 | | Definition date: | 2014-11-07 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 | | Identifier: | (4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one |
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 | | 3UY | | Name: | (4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine | | Formula: | C20 H20 F N3 O3 | | SMILES: | Fc1ncccc1c5cc4c(OC2(CCCOC2C43N=C(OC3)N)C)cc5 | | InChi: | InChI=1S/C20H20FN3O3/c1-19-7-3-9-25-17(19)20(11-26-18(22)24-20)14-10-12(5-6-15(14)27-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20+/m1/s1 | | Definition date: | 2014-11-07 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 | | Identifier: | (4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine |
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 | | 3J9 | | Name: | (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine | | Formula: | C20 H20 F N3 O3 | | SMILES: | Fc1ncccc1c5cc4c(OC2(CCCOC2C43N=C(OC3)N)C)cc5 | | InChi: | InChI=1S/C20H20FN3O3/c1-19-7-3-9-25-17(19)20(11-26-18(22)24-20)14-10-12(5-6-15(14)27-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 | | Definition date: | 2014-08-22 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 | | Identifier: | (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine |
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 | | VC2 | | Name: | (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid | | Formula: | C9 H15 N O2 S3 | | SMILES: | O=C(O)C1N2C(SCC2SC1(C)C)CS | | InChi: | InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m0/s1 | | Definition date: | 2013-12-06 | | Last modified: | 2014-11-21 | | Release date: | 2014-11-26 | | Identifier: | (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid |
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 | | UJB | | Name: | (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one | | Formula: | C19 H22 Cl F3 N4 O2 S | | SMILES: | Clc1sc(cc1)CN4C3=NC(N2C(C)COCC2C)=CC(=O)N3CCC4C(F)(F)F | | InChi: | InChI=1S/C19H22ClF3N4O2S/c1-11-9-29-10-12(2)27(11)16-7-17(28)25-6-5-14(19(21,22)23)26(18(25)24-16)8-13-3-4-15(20)30-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t11-,12-,14+/m1/s1 | | Definition date: | 2014-08-12 | | Last modified: | 2014-11-21 | | Release date: | 2014-11-26 | | Identifier: | (8S)-9-[(5-chlorothiophen-2-yl)methyl]-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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 | | JXM | | Name: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one | | Formula: | C20 H23 F3 N4 O3 | | SMILES: | FC(F)(F)C3N(C2=NC(N1CCOCC1)=CC(=O)N2CC3)CC(O)c4ccccc4 | | InChi: | InChI=1S/C20H23F3N4O3/c21-20(22,23)16-6-7-26-18(29)12-17(25-8-10-30-11-9-25)24-19(26)27(16)13-15(28)14-4-2-1-3-5-14/h1-5,12,15-16,28H,6-11,13H2/t15-,16-/m0/s1 | | Definition date: | 2014-08-12 | | Last modified: | 2014-11-21 | | Release date: | 2014-11-26 | | Identifier: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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