 | | W4M | | Name: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol | | Formula: | C23 H27 N5 O3 S | | SMILES: | c2(cc1c(n(CC(SC)N(O)CO)nn1)cc2)C#Cc4ccc(CN3CCOCC3)cc4 | | InChi: | InChI=1S/C23H27N5O3S/c1-32-23(28(30)17-29)16-27-22-9-8-19(14-21(22)24-25-27)5-2-18-3-6-20(7-4-18)15-26-10-12-31-13-11-26/h3-4,6-9,14,23,29-30H,10-13,15-17H2,1H3/t23-/m0/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol |
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 | | W4P | | Name: | N-hydroxy-N-[(1S)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide | | Formula: | C23 H22 N6 O3 S | | SMILES: | c2(cc1c(n(CC(SC)N(O)C=O)nn1)cc2)C#Cc4ccc(Cn3ccnc3CO)cc4 | | InChi: | InChI=1S/C23H22N6O3S/c1-33-23(29(32)16-31)14-28-21-9-8-18(12-20(21)25-26-28)5-2-17-3-6-19(7-4-17)13-27-11-10-24-22(27)15-30/h3-4,6-12,16,23,30,32H,13-15H2,1H3/t23-/m0/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | N-hydroxy-N-[(1S)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide |
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 | | O1N | | Name: | dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(II) | | Formula: | C19 H20 Cl2 N2 Os | | SMILES: | CC(C)[C]12CC[C](C)(CC1)[Os]2(Cl)(Cl)c3n(C)c4ccccc4[n]3C | | InChi: | InChI=1S/C10H14.C9H10N2.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10 | | Definition date: | 2019-07-03 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 |
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 | | W8P | | Name: | N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide | | Formula: | C23 H22 N6 O3 S | | SMILES: | c2(ccc1n(CC(SC)N(O)C=O)nnc1c2)C#Cc4ccc(Cn3ccnc3CO)cc4 | | InChi: | InChI=1S/C23H22N6O3S/c1-33-23(29(32)16-31)14-28-21-9-8-18(12-20(21)25-26-28)5-2-17-3-6-19(7-4-17)13-27-11-10-24-22(27)15-30/h3-4,6-12,16,23,30,32H,13-15H2,1H3/t23-/m1/s1 | | Definition date: | 2020-09-30 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide |
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 | | V4D | | Name: | 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide | | Formula: | C17 H15 N7 O3 S | | SMILES: | c4c(S(N)(=O)=O)ccc(Nc1nc(N)nc(n1)Oc2cc3c(cc2)ncc3)c4 | | InChi: | InChI=1S/C17H15N7O3S/c18-15-22-16(21-11-1-4-13(5-2-11)28(19,25)26)24-17(23-15)27-12-3-6-14-10(9-12)7-8-20-14/h1-9,20H,(H2,19,25,26)(H3,18,21,22,23,24) | | Definition date: | 2020-06-25 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide |
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 | | ORS | | Name: | dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium | | Formula: | C10 H15 Cl2 Rh | | SMILES: | C12(C)C3(C)C4(C)C5(C)C1(C)[Rh]2345(Cl)Cl | | InChi: | InChI=1S/C10H15.2ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3 | | Definition date: | 2019-07-03 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium |
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 | | OT1 | | Name: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole | | Formula: | C19 H25 Cl Ir N2 | | SMILES: | CC1C(C)C(C)C(C)C1C.Cn2c([Ir]Cl)[n](C)c3ccccc23 | | InChi: | InChI=1S/C10H15.C9H10N2.ClH.Ir/c1-6-7(2)9(4)10(5)8(6)3 | | Definition date: | 2019-07-03 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole |
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 | | V9J | | Name: | 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol | | Formula: | C20 H13 F O3 S | | SMILES: | c1c(ccc(c1)O)Oc3sc2c(ccc(c2)O)c3c4ccc(cc4)F | | InChi: | InChI=1S/C20H13FO3S/c21-13-3-1-12(2-4-13)19-17-10-7-15(23)11-18(17)25-20(19)24-16-8-5-14(22)6-9-16/h1-11,22-23H | | Definition date: | 2020-07-21 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol |
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 | | QWP | | Name: | mithramycin | | Formula: | C52 H76 O24 | | SMILES: | C1C(C)(O)C(O)C(C)OC1OC2CC(OC(C2O)C)OC3CC(OC(C3O)C)OC4C(Cc5c(C4=O)c(O)c6c(c5)cc(c(c6O)C)OC7CC(C(C(O7)C)O)OC8OC(C)C(O)C(C8)O)C(C(=O)C(C(C)O)O)OC | | InChi: | InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1 | | Synonyms: | (1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1-> | | Definition date: | 2020-01-08 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | (1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose |
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 | | UWM | | Name: | trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile | | Formula: | C20 H17 N9 | | SMILES: | n1c(cn4c(c1c2cnn(c2)C3(CC#N)CC(C#N)C3)ccn4)c5cn(nc5)C | | InChi: | InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20- | | Definition date: | 2020-06-02 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile |
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 | | UWP | | Name: | [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile | | Formula: | C20 H18 F3 N9 | | SMILES: | n15c(c(nc(c1)c2cnn(C)c2)c3cn(nc3)C4(CN(C4)CC(F)(F)F)CC#N)ccn5 | | InChi: | InChI=1S/C20H18F3N9/c1-29-8-14(6-26-29)16-10-31-17(2-5-25-31)18(28-16)15-7-27-32(9-15)19(3-4-24)11-30(12-19)13-20(21,22)23/h2,5-10H,3,11-13H2,1H3 | | Definition date: | 2020-06-02 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile |
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 | | N9N | | Name: | (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone | | Formula: | C13 H10 O5 | | SMILES: | Oc1ccc(cc1)C(=O)c2ccc(O)c(O)c2O | | InChi: | InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H | | Definition date: | 2019-11-19 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone |
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 | | BY9 | | Name: | 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione | | Formula: | C26 H21 N3 O7 | | SMILES: | c1c7c(ccc1)c3c(c5c(c2C(=O)NC(c23)=O)c4ccccc4n5C6OC(C(C(C6O)O)O)CO)n7 | | InChi: | InChI=1S/C26H21N3O7/c30-9-14-21(31)22(32)23(33)26(36-14)29-13-8-4-2-6-11(13)16-18-17(24(34)28-25(18)35)15-10-5-1-3-7-12(10)27-19(15)20(16)29/h1-8,14,21-23,26-27,30-33H,9H2,(H,28,34,35)/t14-,21-,22+,23-,26-/m1/s1 | | Synonyms: | rebeccamycin analogue | | Definition date: | 2019-11-04 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione |
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 | | QMH | | Name: | (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid | | Formula: | C18 H27 N O4 | | SMILES: | CCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(O)=O | | InChi: | InChI=1S/C18H27NO4/c1-4-5-6-7-12-23-15-10-8-14(9-11-15)17(20)19-16(13(2)3)18(21)22/h8-11,13,16H,4-7,12H2,1-3H3,(H,19,20)(H,21,22)/t16-/m0/s1 | | Definition date: | 2020-07-01 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid |
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 | | R1N | | Name: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole | | Formula: | C19 H25 Cl N2 Rh | | SMILES: | CC1C(C)C(C)C(C)C1C.Cn2c([Rh]Cl)[n](C)c3ccccc23 | | InChi: | InChI=1S/C10H15.C9H10N2.ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3 | | Definition date: | 2019-07-03 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole |
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 | | G2O | | Name: | Chlorophyll A ester | | Formula: | C55 H70 Mg N4 O5 | | SMILES: | CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=CC6=NC(=C7[CH](C(=O)OC)C(=O)c(c3C)c47)[CH](CCC(=O)OCC=C(C)CC=C[CH](C)CCC[CH](C)CCCC(C)C)[CH]6C)C(=C(C=C)C5=C2)C | | InChi: | InChI=1S/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42 | | Definition date: | 2020-07-09 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 |
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 | | GS0 | | Name: | Bacteriochlorophyll A isomer | | Formula: | C55 H74 Mg N4 O6 | | SMILES: | CC[CH]1[CH](C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C | | InChi: | InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3 | | Definition date: | 2020-08-07 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 |
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 | | GT3 | | Name: | 2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[(2R,3R)-1,3-bis(oxidanyl)butan-2-yl]ethanamide | | Formula: | C11 H16 N6 O4 | | SMILES: | C[CH](O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N | | InChi: | InChI=1S/C11H16N6O4/c1-5(19)6(3-18)14-7(20)2-17-4-13-8-9(17)15-11(12)16-10(8)21/h4-6,18-19H,2-3H2,1H3,(H,14,20)(H3,12,15,16,21)/t5-,6-/m1/s1 | | Definition date: | 2020-04-03 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-~{N}-[(2~{R},3~{R})-1,3-bis(oxidanyl)butan-2-yl]ethanamide |
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 | | FGU | | Name: | S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate | | Formula: | C10 H20 N2 O2 S | | SMILES: | CC(C)C[CH](N)C(=O)SCCNC(C)=O | | InChi: | InChI=1S/C10H20N2O2S/c1-7(2)6-9(11)10(14)15-5-4-12-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,13)/t9-/m0/s1 | | Definition date: | 2020-05-12 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | ~{S}-(2-acetamidoethyl) (2~{S})-2-azanyl-4-methyl-pentanethioate |
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 | | FJ0 | | Name: | 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide | | Formula: | C24 H25 N7 O5 | | SMILES: | Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[CH](O)C5)N6CCOCC6 | | InChi: | InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1 | | Definition date: | 2020-05-14 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 2-(2-methylpyridin-4-yl)-~{N}-[2-morpholin-4-yl-5-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide |
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 | | FJ9 | | Name: | N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide | | Formula: | C22 H19 N5 O3 | | SMILES: | O=C(Nc1ccc2nc(oc2c1)N3CCOCC3)c4cccc(n4)c5ccncc5 | | InChi: | InChI=1S/C22H19N5O3/c28-21(19-3-1-2-17(25-19)15-6-8-23-9-7-15)24-16-4-5-18-20(14-16)30-22(26-18)27-10-12-29-13-11-27/h1-9,14H,10-13H2,(H,24,28) | | Definition date: | 2020-05-14 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | ~{N}-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide |
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 | | E83 | | Name: | 2-[[3-[(2E)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid | | Formula: | C23 H19 N3 O6 S | | SMILES: | CC(=O)C(=NNc1cccc(c1)[S](=O)(=O)Nc2ccccc2C(O)=O)C(=O)c3ccccc3 | | InChi: | InChI=1S/C23H19N3O6S/c1-15(27)21(22(28)16-8-3-2-4-9-16)25-24-17-10-7-11-18(14-17)33(31,32)26-20-13-6-5-12-19(20)23(29)30/h2-14,24,26H,1H3,(H,29,30)/b25-21+ | | Definition date: | 2019-11-19 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 2-[[3-[(2~{E})-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid |
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 | | E9R | | Name: | (2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid | | Formula: | C20 H25 N2 O6 | | SMILES: | OCc1cc[n+](CCCC[CH](NC(=O)OCc2ccccc2)C(O)=O)cc1O | | InChi: | InChI=1S/C20H24N2O6/c23-13-16-9-11-22(12-18(16)24)10-5-4-8-17(19(25)26)21-20(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,9,11-12,17,23H,4-5,8,10,13-14H2,(H2-,21,24,25,26,27)/p+1/t17-/m0/s1 | | Definition date: | 2019-11-26 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | (2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid |
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 | | K2R | | Name: | 3-[3-[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid | | Formula: | C19 H21 N4 O9 P | | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c2ncnc3c4cccc(CCC(O)=O)c4 | | InChi: | InChI=1S/C19H21N4O9P/c24-13(25)5-4-10-2-1-3-11(6-10)14-15-18(21-8-20-14)23(9-22-15)19-17(27)16(26)12(32-19)7-31-33(28,29)30/h1-3,6,8-9,12,16-17,19,26-27H,4-5,7H2,(H,24,25)(H2,28,29,30)/t12-,16-,17-,19-/m1/s1 | | Definition date: | 2020-05-25 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 3-[3-[9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid |
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 | | EXF | | Name: | N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide | | Formula: | C20 H25 F2 N7 O2 | | SMILES: | CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[CH](F)C(C)(C)O | | InChi: | InChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-16(27-18-13(21)10-29-17(28-18)5-6-25-29)23-8-12(14)19(30)24-9-15(22)20(3,4)31/h5-8,10-11,15,31H,9H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1 | | Definition date: | 2020-02-14 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | ~{N}-[(2~{R})-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide |
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