| IPY | Name: | IMIDAZOLE-PYRROLE POLYAMIDE | Formula: | C31 H42 N11 O5 | SMILES: | O=C(Nc3cc(C(=O)Nc2cc(C(=O)Nc1cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C | InChi: | InChI=1S/C31H41N11O5/c1-38(2)12-7-9-32-26(43)8-10-34-28(44)23-14-20(17-40(23)4)35-29(45)24-15-21(18-41(24)5)36-30(46)25-16-22(19-42(25)6)37-31(47)27-33-11-13-39(27)3/h11,13-19H,7-10,12H2,1-6H3,(H,32,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47)/p+1 | Synonyms: | IMIDAZOLE-PYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium |
|
| IPZ | Name: | 2-ISOPROPYL-3-METHOXYPYRAZINE | Formula: | C8 H12 N2 O | SMILES: | O(c1nccnc1C(C)C)C | InChi: | InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3 | Synonyms: | 2-METHOXY-3-ISOPROPYLPYRAZINE | Definition date: | 2003-09-16 | Last modified: | 2021-03-01 | Identifier: | 2-methoxy-3-(1-methylethyl)pyrazine |
|
| ISW | Name: | {3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron | Formula: | C34 H34 Fe N4 O4 | SMILES: | O=C(O)CCC3=C(C4=Cc1n6c(c(c1C=C)C)CC2N5=C(C(=C2C=C)C)C=C7C(=C(C8=CC3=N4[Fe]56N78)CCC(=O)O)C)C | InChi: | InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | Synonyms: | Isoporphyrin containing Fe | Definition date: | 2011-06-02 | Last modified: | 2021-03-01 | Release date: | 2013-09-04 | Identifier: | {3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron |
|
| IVF | Name: | N-(iodoacetyl)-L-valyl-L-phenylalaninamide | Formula: | C16 H22 I N3 O3 | SMILES: | ICC(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C(C)C | InChi: | InChI=1S/C16H22IN3O3/c1-10(2)14(20-13(21)9-17)16(23)19-12(15(18)22)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1 | Synonyms: | iodoacetyl-valyl-phenylalanyl-amide | Definition date: | 2012-05-07 | Last modified: | 2021-03-01 | Identifier: | N-(iodoacetyl)-L-valyl-L-phenylalaninamide |
|
| IWD | Name: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | Formula: | C7 H8 I N3 O4 | SMILES: | O=C(O)C(N)CN1C=C(I)C(=O)NC1=O | InChi: | InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 | Synonyms: | IODO-WILLARDIINE | Definition date: | 2002-09-18 | Last modified: | 2021-03-01 | Identifier: | 3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
|
| RCC | Name: | 3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid | Formula: | C35 H38 N4 O7 | SMILES: | O=C5C(C=C)=C(C(=CC4=N/C(=C2c1nc(c(c1C(=O)C2C(=O)OC)C)Cc3c(c(c(C=O)n3)C)CC)C(CCC(=O)O)C4C)N5)C | InChi: | InChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12,14,17,21,30,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/b23-12-,31-29-/t17-,21-,30+/m0/s1 | Synonyms: | Red chlorophyll catabolite | Definition date: | 2010-04-02 | Last modified: | 2021-03-01 | Identifier: | 3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid |
|
| RDF | Name: | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN | Formula: | C23 H34 N3 O10 P | SMILES: | O=P(OC1OC(C(O)C(O)C1O)C)(O)NC(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CC(C)C | InChi: | InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1 | Synonyms: | PHOSPHORAMIDON | Definition date: | 1999-12-17 | Last modified: | 2021-03-01 | Identifier: | (2S)-2-{[(2S)-2-{[(S)-hydroxy{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl]amino}-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propanoic acid |
|
| RE5 | Name: | L-Glutamate Tenofovir | Formula: | C14 H21 N6 O7 P | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CCC(O)=O)C(O)=O | InChi: | InChI=1S/C14H21N6O7P/c1-8(4-20-6-18-11-12(15)16-5-17-13(11)20)27-7-28(25,26)19-9(14(23)24)2-3-10(21)22/h5-6,8-9H,2-4,7H2,1H3,(H,21,22)(H,23,24)(H2,15,16,17)(H2,19,25,26)/t8-,9+/m1/s1 | Synonyms: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic 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]pentanedioic acid |
|
| REK | Name: | D-Aspartate Tenofovir | Formula: | C13 H19 N6 O7 P | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CC(O)=O)C(O)=O | InChi: | InChI=1S/C13H19N6O7P/c1-7(3-19-5-17-10-11(14)15-4-16-12(10)19)26-6-27(24,25)18-8(13(22)23)2-9(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,22,23)(H2,14,15,16)(H2,18,24,25)/t7-,8-/m1/s1 | Synonyms: | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid | Definition date: | 2020-09-28 | Last modified: | 2021-03-01 | Release date: | 2021-01-13 | Identifier: | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid |
|
| 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 |
|
| 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 |
|
| 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 |
|
| 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 |
|
| RNH | Name: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide | Formula: | C16 H32 N2 O4 | SMILES: | O=C(NCCC(=O)NCCCCCCC)C(O)C(C)(C)CO | InChi: | InChI=1S/C16H32N2O4/c1-4-5-6-7-8-10-17-13(20)9-11-18-15(22)14(21)16(2,3)12-19/h14,19,21H,4-12H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1 | Synonyms: | N-heptylpantothenamide | Definition date: | 2011-07-05 | Last modified: | 2021-03-01 | Identifier: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide |
|
| RRT | Name: | (R)-RETRO-THIORPHAN | Formula: | C12 H15 N O3 S | SMILES: | O=C(O)CC(=O)NC(Cc1ccccc1)CS | InChi: | InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1 | Synonyms: | 3-{[(1R)-1-BENZYL-2-SULFANYLETHYL]AMINO}-3-OXOPROPANOIC ACID | Definition date: | 2005-04-08 | Last modified: | 2021-03-01 | Identifier: | 3-{[(1R)-1-benzyl-2-sulfanylethyl]amino}-3-oxopropanoic acid |
|
| RUR | Name: | [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium | Formula: | C34 H36 N4 O4 Ru | SMILES: | O=C(O)CCC1=C(C2=Cc7c(c(c6C=C8N3=C(C=C4C(=C(C5=CC1=N2[Ru]3(N45)n67)CCC(=O)O)C)C(=C8CC)C)C)CC)C | InChi: | InChI=1S/C34H38N4O4.Ru/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | Synonyms: | MESOPORPHYRIN IX CONTAINING RU | Definition date: | 2010-03-23 | Last modified: | 2021-03-01 | Identifier: | [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium |
|
| XQD | Name: | [(2~{R},3~{R},4~{S},5~{S},6~{R})-3-acetamido-5-[[(1~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanyl-ethyl]amino]-6-methyl-4-oxidanyl-oxan-2-yl] [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | Formula: | C40 H66 N11 O32 P5 S | SMILES: | N6(C5C(C(C(COP(OP(OC4OC(C(NC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1C(C(O)C(O1)n2c3c(nc2)c(N)ncn3)OP(O)(=O)O)(C)O)C(O)C4NC(C)=O)C)(O)=O)(O)=O)O5)O)O)C(NC(C=C6)=O)=O | InChi: | InChI=1S/C40H66N11O32P5S/c1-17-23(27(56)24(47-18(2)52)37(77-17)81-88(72,73)83-86(68,69)74-12-19-26(55)28(57)35(78-19)50-10-7-22(54)48-38(50)61)49-40(5,62)89-11-9-42-21(53)6-8-43-34(60)31(59)39(3,4)14-76-87(70,71)82-85(66,67)75-13-20-30(80-84(63,64)65)29(58)36(79-20)51-16-46-25-32(41)44-15-45-33(25)51/h7,10,15-17,19-20,23-24,26-31,35-37,49,55-59,62H,6,8-9,11-14H2,1-5H3,(H,42,53)(H,43,60)(H,47,52)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H2,41,44,45)(H,48,54,61)(H2,63,64,65)/t17-,19-,20-,23-,24-,26-,27+,28-,29-,30-,31+,35-,36-,37-,40+/m1/s1 | Definition date: | 2020-12-31 | Last modified: | 2021-02-26 | Release date: | 2021-03-03 | Identifier: | (2R,3R,4S,5S,6R)-3-(acetylamino)-5-({(3R,5S,9R,19S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-19-yl}amino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
| HFR | Name: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(3S)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate | Formula: | C19 H22 Br N7 O7 S | SMILES: | N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4cccc(Br)c4 | InChi: | InChI=1S/C19H22BrN7O7S/c20-10-3-1-2-9(4-10)11(21)5-13(28)26-35(31,32)33-6-12-15(29)16(30)19(34-12)27-8-25-14-17(22)23-7-24-18(14)27/h1-4,7-8,11-12,15-16,19,29-30H,5-6,21H2,(H,26,28)(H2,22,23,24)/t11-,12+,15+,16+,19+/m0/s1 | Definition date: | 2020-12-28 | Last modified: | 2021-02-26 | Release date: | 2021-03-03 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate |
|
| U68 | Name: | (4-nitrophenyl) (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate | Formula: | C20 H19 N O5 | SMILES: | COc1ccc2cc(ccc2c1)[CH](C)C(=O)Oc3ccc(cc3)N(O)O | InChi: | InChI=1S/C20H19NO5/c1-13(20(22)26-18-9-6-17(7-10-18)21(23)24)14-3-4-16-12-19(25-2)8-5-15(16)11-14/h3-13,23-24H,1-2H3/t13-/m0/s1 | Definition date: | 2021-01-25 | Last modified: | 2021-02-26 | Release date: | 2021-03-03 | Identifier: | [4-[bis(oxidanyl)amino]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate |
|
| MWQ | Name: | 3-(1~{H}-imidazol-5-yl)propanoic acid | Formula: | C6 H8 N2 O2 | SMILES: | OC(=O)CCc1[nH]cnc1 | InChi: | InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10) | Definition date: | 2019-10-25 | Last modified: | 2021-02-26 | Release date: | 2021-03-03 | Identifier: | 3-(1~{H}-imidazol-5-yl)propanoic acid |
|
| RXH | Name: | Naproxen Methyl Ester | Formula: | C15 H16 O3 | SMILES: | COC(=O)[CH](C)c1ccc2cc(OC)ccc2c1 | InChi: | InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1 | Synonyms: | Methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate | Definition date: | 2020-10-29 | Last modified: | 2021-02-26 | Release date: | 2021-03-03 | Identifier: | methyl (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate |
|
| Z8G | Name: | N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide | Formula: | C26 H25 F8 N O4 S | SMILES: | c1(C(C(F)(F)F)(F)C(F)(F)F)cc2c(cc1)C3(C(CC2)C(CC3)NC(=O)C(O)(C)C)S(=O)(c4ccc(cc4)F)=O | InChi: | InChI=1S/C26H25F8NO4S/c1-22(2,37)21(36)35-20-11-12-23(40(38,39)17-7-5-16(27)6-8-17)18-10-4-15(13-14(18)3-9-19(20)23)24(28,25(29,30)31)26(32,33)34/h4-8,10,13,19-20,37H,3,9,11-12H2,1-2H3,(H,35,36)/t19-,20+,23+/m0/s1 | Definition date: | 2020-11-17 | Last modified: | 2021-02-19 | Release date: | 2021-02-24 | Identifier: | N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide |
|
| EZU | Name: | 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one | Formula: | C18 H24 N6 O3 | SMILES: | C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)C(=O)N4CC5(COC5)C4 | InChi: | InChI=1S/C18H24N6O3/c1-11(16(26)23-7-18(8-23)9-27-10-18)20-17-21-14-13(15(25)22-17)6-19-24(14)12-4-2-3-5-12/h6,11-12H,2-5,7-10H2,1H3,(H2,20,21,22,25)/t11-/m1/s1 | Definition date: | 2020-02-28 | Last modified: | 2021-02-19 | Release date: | 2021-02-24 | Identifier: | 1-cyclopentyl-6-[[(2~{R})-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one |
|
| R3J | Name: | benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate | Formula: | C24 H27 N5 O6 | SMILES: | C2(=O)C(=C(C(NCCc1cc(OC)ncc1)=O)N=C(N2)C(NC(OCc3ccccc3)=O)(C)C)O | InChi: | InChI=1S/C24H27N5O6/c1-24(2,29-23(33)35-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)28-22)20(31)26-12-10-15-9-11-25-17(13-15)34-3/h4-9,11,13,30H,10,12,14H2,1-3H3,(H,26,31)(H,29,33)(H,27,28,32) | Definition date: | 2020-01-28 | Last modified: | 2021-02-19 | Release date: | 2021-02-24 | Identifier: | benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
|
| Y1A | Name: | 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide | Formula: | C13 H19 N3 O3 | SMILES: | N2(CCN(C(=O)c1ccco1)CC2)C(NC(C)C)=O | InChi: | InChI=1S/C13H19N3O3/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18) | Definition date: | 2021-01-25 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide |
|