| REM | Name: | Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide | Formula: | C33 H50 N4 O6 S | SMILES: | O=S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(O)C2CC2)Cc3cncn3)Cc4ccccc4 | InChi: | InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1 | Synonyms: | remikiren | Definition date: | 2008-05-27 | Last modified: | 2021-03-01 | Identifier: | Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide |
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| 5A0 | Name: | 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine | Formula: | C17 H21 F2 N5 S2 | SMILES: | c12ncnc(c1cc(CC(F)F)s2)N3CCN(CC3)C4=NCC(S4)(C)C | InChi: | InChI=1S/C17H21F2N5S2/c1-17(2)9-20-16(26-17)24-5-3-23(4-6-24)14-12-7-11(8-13(18)19)25-15(12)22-10-21-14/h7,10,13H,3-6,8-9H2,1-2H3 | Synonyms: | MI-859 | Definition date: | 2015-08-28 | Last modified: | 2021-03-01 | Release date: | 2015-09-09 | Identifier: | 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine |
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| 5AA | Name: | N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MONOPHOSPHATE | Formula: | C12 H19 N6 O6 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c2ncnc1N(C)C)C(O)C3N | InChi: | InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1 | Synonyms: | PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE | Definition date: | 2004-12-29 | Last modified: | 2021-03-01 | Identifier: | 3'-amino-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate) |
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| 5AE | Name: | 4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one | Formula: | C8 H12 N4 O5 | SMILES: | O=C1N=C(N=CN1C2OC(C(O)C2O)CO)N | InChi: | InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1 | Synonyms: | 5-azacytidine | Definition date: | 2014-05-19 | Last modified: | 2021-03-01 | Release date: | 2014-06-25 | Identifier: | 4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one |
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| 5AL | Name: | 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine | Formula: | C13 H19 N6 O8 P | SMILES: | O=P(OC(=O)C(N)C)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1 | Synonyms: | Alanyl Adenylate | Definition date: | 2009-06-25 | Last modified: | 2021-03-01 | Identifier: | 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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| RFE | Name: | L-Methionine Tenofovir | Formula: | C14 H23 N6 O5 P S | SMILES: | CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N)ncnc12)C(O)=O | InChi: | InChI=1S/C14H23N6O5PS/c1-9(5-20-7-18-11-12(15)16-6-17-13(11)20)25-8-26(23,24)19-10(14(21)22)3-4-27-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,15,16,17)(H2,19,23,24)/t9-,10+/m1/s1 | Synonyms: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid | Definition date: | 2020-09-28 | Last modified: | 2021-03-01 | Release date: | 2021-01-13 | Identifier: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid |
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| RFX | Name: | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | Formula: | C17 H18 F3 N O | SMILES: | FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2 | InChi: | InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1 | Synonyms: | Fluoxetine | Definition date: | 2009-04-03 | Last modified: | 2021-03-01 | Identifier: | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
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| 5BQ | Name: | 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione | Formula: | C14 H13 Cl O5 S | SMILES: | O=C1C(C(CCC1)=O)C(=O)c2ccc(cc2Cl)S(=O)(C)=O | InChi: | InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 | Synonyms: | Sulcotrione | Definition date: | 2015-09-03 | Last modified: | 2021-03-01 | Release date: | 2016-09-07 | Identifier: | 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione |
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| RHP | Name: | (3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL | Formula: | C12 H13 N O | SMILES: | Oc1ccc2c(c1)C(NCC#C)CC2 | InChi: | InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1 | Synonyms: | 5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | Definition date: | 2004-01-15 | Last modified: | 2021-03-01 | Identifier: | (3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-ol |
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| 5DK | Name: | (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine | Formula: | C14 H22 N5 O7 P | SMILES: | c1(C)ncc(c(c1O)/C=N/C(CCCN/C(N)=N)C(O)=O)COP(O)(O)=O | InChi: | InChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m1/s1 | Synonyms: | PLP-DArg | Definition date: | 2015-09-09 | Last modified: | 2021-03-01 | Release date: | 2015-11-25 | Identifier: | (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine |
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| 5DL | Name: | [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | Formula: | C5 H10 N3 O4 P | SMILES: | n1cncn1CC(CP(O)(O)=O)O | InChi: | InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m0/s1 | Synonyms: | (S)-C348 | Definition date: | 2015-09-10 | Last modified: | 2021-03-01 | Release date: | 2016-09-28 | Identifier: | [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid |
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| RIT | Name: | RITONAVIR | Formula: | C37 H48 N6 O5 S2 | SMILES: | O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C)Cc4ccccc4 | InChi: | InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 | Synonyms: | A-84538 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide |
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| RIV | Name: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide | Formula: | C19 H18 Cl N3 O5 S | SMILES: | O=C(NCC3OC(=O)N(c2ccc(N1C(=O)COCC1)cc2)C3)c4sc(Cl)cc4 | InChi: | InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 | Synonyms: | Rivaroxaban | Definition date: | 2008-10-24 | Last modified: | 2021-03-01 | Identifier: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide |
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| RJ1 | Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide | Formula: | C9 H9 Cl F3 N5 | SMILES: | Clc1ccc(cc1NC(=[N@H])NC(=[N@H])N)C(F)(F)F | InChi: | InChI=1S/C9H9ClF3N5/c10-5-2-1-4(9(11,12)13)3-6(5)17-8(16)18-7(14)15/h1-3H,(H6,14,15,16,17,18) | Synonyms: | 2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-1-chloro-4-(trifluoromethyl)benzene | Definition date: | 2008-06-17 | Last modified: | 2021-03-01 | Identifier: | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide |
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| 5H1 | Name: | 1H-indol-5-ol | Formula: | C8 H7 N O | SMILES: | Oc1cc2c(cc1)ncc2 | InChi: | InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H | Synonyms: | 5-hydroxyindole | Definition date: | 2009-01-20 | Last modified: | 2021-03-01 | Identifier: | 1H-indol-5-ol |
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| RMA | Name: | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE | Formula: | C13 H15 N | SMILES: | C#CCN(C)C2c1ccccc1CC2 | InChi: | InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1 | Synonyms: | N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN | Definition date: | 2004-01-15 | Last modified: | 2021-03-01 | Identifier: | (1R)-N-methyl-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine |
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| 9J6 | Name: | 6-ethoxy-6-oxohexanoic acid | Formula: | C8 H14 O4 | SMILES: | O=C(O)CCCCC(=O)OCC | InChi: | InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10) | Synonyms: | Adipic acid monoethyl ester | Definition date: | 2018-05-02 | Last modified: | 2021-03-01 | Release date: | 2018-09-12 | Identifier: | 6-ethoxy-6-oxohexanoic acid |
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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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| 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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| RPG | Name: | (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid | Formula: | C20 H32 O4 | SMILES: | CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O | InChi: | InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1 | Synonyms: | PROSTAGLANDIN A1 (PGA1) | Definition date: | 2017-08-17 | Last modified: | 2021-03-01 | Release date: | 2018-12-26 | Identifier: | 7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]heptanoic 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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| MUS | Name: | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID | Formula: | C21 H25 N O11 | SMILES: | O=C3Oc2c(ccc(OC1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C(=O)O)c2)C(=C3)C | InChi: | InChI=1S/C21H25NO11/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30)/t13-,14+,17+,18+,19+,21+/m0/s1 | Synonyms: | METHYLUMBELLIFERYL SIALIC ACID | Definition date: | 2004-01-19 | Last modified: | 2021-03-01 | Identifier: | 4-methyl-2-oxo-2H-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid |
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| MWB | Name: | N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine | Formula: | C18 H21 N7 | SMILES: | N4=C(Nc3ccc(Nc2ccc(NC1=NCCN1)cc2)cc3)NCC4 | InChi: | InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25) | Synonyms: | CD27 | Definition date: | 2014-02-04 | Last modified: | 2021-03-01 | Release date: | 2014-06-11 | Identifier: | N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine |
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| MX7 | Name: | (2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate | Formula: | C39 H73 O8 P | SMILES: | O=C(OC(COP(=O)(O)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCCCC | InChi: | InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1 | Synonyms: | dioleoyl-phosphatidic acid | Definition date: | 2013-09-30 | Last modified: | 2021-03-01 | Release date: | 2014-10-01 | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate |
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| MXR | Name: | (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid | Formula: | C17 H27 N3 O5 S | SMILES: | O=C(O)C2=NC(C(C2SC1CC(C(=O)N(C)C)NC1)C)C(C=O)C(O)C | InChi: | InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12-,13-,15+/m1/s1 | Synonyms: | meropenem bound form (tautomerism) | Definition date: | 2012-10-02 | Last modified: | 2021-03-01 | Release date: | 2013-06-19 | Identifier: | (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
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