 | | G2R | | Name: | [(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Formula: | C15 H23 N5 O14 P2 | | SMILES: | O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O | | InChi: | InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10-,11+,14+/m0/s1 | | Synonyms: | GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE | | Definition date: | 2006-08-30 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | G3K | | Name: | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid | | Formula: | C19 H20 Cl N3 O6 | | SMILES: | C1(NC(=NC(=C1O)C(O)=O)C3CCCN3C(=O)C(C)(C)Oc2ccc(Cl)cc2)=O | | InChi: | InChI=1S/C19H20ClN3O6/c1-19(2,29-11-7-5-10(20)6-8-11)18(28)23-9-3-4-12(23)15-21-13(17(26)27)14(24)16(25)22-15/h5-8,12,24H,3-4,9H2,1-2H3,(H,26,27)(H,21,22,25)/t12-/m1/s1 | | Synonyms: | SRI-29782 | | Definition date: | 2017-07-11 | | Last modified: | 2021-03-01 | | Release date: | 2018-01-03 | | Identifier: | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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 | | G3Q | | Name: | R-Talinolol | | Formula: | C20 H33 N3 O3 | | SMILES: | CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | | InChi: | InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1 | | Synonyms: | Talinolol | | Definition date: | 2018-08-23 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-03 | | Identifier: | 1-[4-[(2~{R})-3-(~{tert}-butylamino)-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea |
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 | | G4W | | Name: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile | | Formula: | C20 H20 F2 N6 O | | SMILES: | Fc1cc(F)cc(c1)[CH]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N | | InChi: | InChI=1S/C20H20F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18,26H,1-6H2/t18-/m0/s1 | | Synonyms: | GSK547 | | Definition date: | 2018-08-28 | | Last modified: | 2021-03-01 | | Release date: | 2018-12-12 | | Identifier: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile |
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 | | G6M | | Name: | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide | | Formula: | C16 H19 Cl F N3 O4 | | SMILES: | c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3 | | InChi: | InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1 | | Synonyms: | oxazolidinone antibiotic LZD-6 | | Definition date: | 2018-05-10 | | Last modified: | 2021-03-01 | | Release date: | 2019-03-20 | | Identifier: | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide |
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 | | 7JD | | Name: | 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C14 H9 F N2 O2 | | SMILES: | Oc1cc(cc2C(=O)NC=Nc12)c3ccc(F)cc3 | | InChi: | InChI=1S/C14H9FN2O2/c15-10-3-1-8(2-4-10)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h1-7,18H,(H,16,17,19) | | Synonyms: | 6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-22 | | Identifier: | 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7JU | | Name: | 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C14 H8 F2 N2 O2 | | SMILES: | Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3 | | InChi: | InChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10-12(13(19)11(9)16)17-6-18-14(10)20/h1-6,19H,(H,17,18,20) | | Synonyms: | 7-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-22 | | Identifier: | 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7JV | | Name: | 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one | | Formula: | C16 H14 N2 O3 | | SMILES: | COCc1ccccc1c2cc(O)c3NC=NC(=O)c3c2 | | InChi: | InChI=1S/C16H14N2O3/c1-21-8-10-4-2-3-5-12(10)11-6-13-15(14(19)7-11)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20) | | Synonyms: | 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-22 | | Identifier: | 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one |
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 | | G90 | | Name: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile | | Formula: | C22 H25 N3 O2 | | SMILES: | N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1 | | Synonyms: | BUCINDOLOL | | Definition date: | 2012-03-11 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile |
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 | | G9A | | Name: | (2E)-pent-2-enedioic acid | | Formula: | C5 H6 O4 | | SMILES: | O=C(O)C=CCC(=O)O | | InChi: | InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ | | Synonyms: | Glutaconic acid | | Definition date: | 2014-08-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-24 | | Identifier: | (2E)-pent-2-enedioic acid |
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 | | GAH | | Name: | N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE | | Formula: | C38 H61 N11 O6 | | SMILES: | O=C(NC(C(=O)NC(C(=O)N)CCCCNC(=[N@H])N)Cc1ccc(O)cc1)C4N(C(=O)C(NC(=O)C2CCC(CNC(=[N@H])N)CC2)CC3CCCCC3)CC4 | | InChi: | InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26+,28-,29+,30+,31-/m0/s1 | | Synonyms: | TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE | | Definition date: | 2004-10-14 | | Last modified: | 2021-03-01 | | Identifier: | N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N~6~-carbamimidoyl-L-lysinamide |
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 | | 9J7 | | Name: | 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | Formula: | C20 H22 F2 N2 O3 S | | SMILES: | c1(c(c(F)c(C)cc1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H22F2N2O3S/c1-3-10-24-17-8-7-16(11-14(17)6-9-18(24)25)23-28(26,27)12-15-5-4-13(2)19(21)20(15)22/h4-5,7-8,11,23H,3,6,9-10,12H2,1-2H3 | | Synonyms: | AMF2alpha | | Definition date: | 2017-05-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-15 | | Identifier: | 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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 | | 7LX | | Name: | (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid | | Formula: | C20 H20 N2 O4 | | SMILES: | CCOc1ccc(cc1OC)[CH](Nc2ccc3cnccc3c2)C(O)=O | | InChi: | InChI=1S/C20H20N2O4/c1-3-26-17-7-5-14(11-18(17)25-2)19(20(23)24)22-16-6-4-15-12-21-9-8-13(15)10-16/h4-12,19,22H,3H2,1-2H3,(H,23,24)/t19-/m1/s1 | | Synonyms: | 2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid | | Definition date: | 2016-12-13 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-21 | | Identifier: | (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid |
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 | | 7M0 | | Name: | 5,6-DIBROMOBENZOTRIAZOLE | | Formula: | C6 H3 Br2 N3 | | SMILES: | Brc1cc2[nH]nnc2cc1Br | | InChi: | InChI=1S/C6H3Br2N3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11) | | Synonyms: | DIBROMO-2-BENZOTRIAZOLE | | Definition date: | 2016-11-18 | | Last modified: | 2021-03-01 | | Release date: | 2018-01-17 | | Identifier: | 5,6-bis(bromanyl)-1~{H}-benzotriazole |
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 | | 9K6 | | Name: | 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline | | Formula: | C15 H19 N3 O2 S | | SMILES: | C[CH]1CNCCCN1[S](=O)(=O)c2cccc3cnccc23 | | InChi: | InChI=1S/C15H19N3O2S/c1-12-10-16-7-3-9-18(12)21(19,20)15-5-2-4-13-11-17-8-6-14(13)15/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3/t12-/m0/s1 | | Synonyms: | 1-(5-Isoquinolinylsulfonyl)-7-methylhomopiperazin | | Definition date: | 2016-12-03 | | Last modified: | 2021-03-01 | | Release date: | 2018-06-06 | | Identifier: | 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline |
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 | | 7NA | | Name: | 2-hydroxy-7-methoxy-5-methyl naphthoic acid | | Formula: | C13 H12 O4 | | SMILES: | O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C | | InChi: | InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16) | | Synonyms: | 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid | | Definition date: | 2009-07-10 | | Last modified: | 2021-03-01 | | Identifier: | 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid |
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 | | 9LF | | Name: | (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate | | Formula: | C39 H49 N O14 | | SMILES: | COC1C(C(C(C(C(C(C(C=CC=C(C(Nc4c(c3c(c(c2OC(OC=C1)(C)C(c2c3c(c4)OC(=O)CO)=O)C)O)O)=O)C)C)O)C)O)C)OC(C)=O)C | | InChi: | InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(53-27(43)16-41)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)51-14-13-25(50-9)19(3)35(52-23(7)42)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,41,44-47H,16H2,1-9H3,(H,40,49)/b11-10+,14-13+,18-12+/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1 | | Synonyms: | Rifamycin L | | Definition date: | 2018-05-24 | | Last modified: | 2021-03-01 | | Release date: | 2018-07-04 | | Identifier: | (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate |
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 | | 7PD | | Name: | 2-aminopteridine-4,7(3H,8H)-dione | | Formula: | C6 H5 N5 O2 | | SMILES: | C2=NC=1C(=O)NC(=NC=1NC2=O)N | | InChi: | InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13) | | Synonyms: | isoxanthopterin | | Definition date: | 2016-11-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-12-16 | | Identifier: | 2-aminopteridine-4,7(3H,8H)-dione |
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 | | 7PE | | Name: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL | | Formula: | C14 H30 O7 | | SMILES: | O(CCOCC)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3 | | Synonyms: | POLYETHYLENE GLYCOL FRAGMENT | | Definition date: | 2005-12-28 | | Last modified: | 2021-03-01 | | Identifier: | 3,6,9,12,15,18-hexaoxaicosan-1-ol |
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 | | 7PH | | Name: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate | | Formula: | C29 H57 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O | | InChi: | InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1 | | Synonyms: | PHOSPHATIDIC ACID | | Definition date: | 2008-04-28 | | Last modified: | 2021-03-01 | | Identifier: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate |
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 | | 9PC | | Name: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide | | Formula: | C14 H8 Cl F2 N3 O2 S | | SMILES: | Fc3ccc(OCc1nc2cc(Cl)cnc2s1)c(F)c3C(=O)N | | InChi: | InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21) | | Synonyms: | PC190723 | | Definition date: | 2012-01-27 | | Last modified: | 2021-03-01 | | Identifier: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide |
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 | | 9PD | | Name: | Dodecyldimethylphosphine oxide | | Formula: | C14 H31 O P | | SMILES: | CCCCCCCCCCCCP(=O)(C)C | | InChi: | InChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3 | | Synonyms: | APO-12 | | Definition date: | 2020-04-16 | | Last modified: | 2021-03-01 | | Release date: | 2020-10-28 | | Identifier: | dodecyl(dimethyl)oxo-lambda~5~-phosphane |
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 | | 9PE | | Name: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate | | Formula: | C30 H60 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCC | | InChi: | InChI=1S/C30H60NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m1/s1 | | Synonyms: | 3-SN-PHOSPHATIDYLETHANOLAMINE | | Definition date: | 2008-04-28 | | Last modified: | 2021-03-01 | | Identifier: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate |
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 | | 9PL | | Name: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one | | Formula: | C11 H16 N2 O2 | | SMILES: | O=C2OCC(Cc1n(cnc1)C)C2CC | | InChi: | InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 | | Synonyms: | PILOCARPINE | | Definition date: | 2011-07-26 | | Last modified: | 2021-03-01 | | Identifier: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
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 | | 7S1 | | Name: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine | | Formula: | C19 H17 N5 | | SMILES: | C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3 | | InChi: | InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1 | | Synonyms: | antagonist A804598 | | Definition date: | 2016-12-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-04 | | Identifier: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine |
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