![R6D R6D](https://data.pdbj.org/pdbjplus/data/cc/svg/R6D.svg) | R6D | Name: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine | Formula: | C23 H25 N9 O | SMILES: | c1(nc(c2nccn2c1)Nc5ccc(N3CCN(CC3)C4COC4)cc5)c6cncc(n6)N | InChi: | InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29) | Synonyms: | GS-9876 | Definition date: | 2020-02-03 | Last modified: | 2021-03-01 | Release date: | 2020-03-11 | Identifier: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine |
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![W42 W42](https://data.pdbj.org/pdbjplus/data/cc/svg/W42.svg) | W42 | Name: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-(HYDROXYETHYL OXYMETHYLENEOXYMETHYL) ISOXAZOLE | Formula: | C21 H26 Cl2 N2 O6 | SMILES: | Clc3c(OCCCCCc1onc(c1)COCOCCO)c(Cl)cc(C2=NCCO2)c3 | InChi: | InChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2 | Synonyms: | COMPOUND WIN VIII | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 2-{[(5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}isoxazol-3-yl)methoxy]methoxy}ethanol |
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![NVE NVE](https://data.pdbj.org/pdbjplus/data/cc/svg/NVE.svg) | NVE | Name: | diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate | Formula: | C27 H33 N4 O5 P | SMILES: | O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC | InChi: | InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3 | Synonyms: | nevirapine phosphonate analogue | Definition date: | 2012-12-03 | Last modified: | 2021-03-01 | Release date: | 2013-02-15 | Identifier: | diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate |
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![5PU 5PU](https://data.pdbj.org/pdbjplus/data/cc/svg/5PU.svg) | 5PU | Name: | 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid | Formula: | C13 H15 N O6 | SMILES: | ONC(=O)CC[CH](Cc1ccc(cc1)C(O)=O)C(O)=O | InChi: | InChI=1S/C13H15NO6/c15-11(14-20)6-5-10(13(18)19)7-8-1-3-9(4-2-8)12(16)17/h1-4,10,20H,5-7H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m1/s1 | Synonyms: | JHU242 | Definition date: | 2015-11-05 | Last modified: | 2021-03-01 | Release date: | 2016-04-27 | Identifier: | 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid |
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![RKE RKE](https://data.pdbj.org/pdbjplus/data/cc/svg/RKE.svg) | RKE | Name: | (R)-ketamine | Formula: | C13 H16 Cl N O | SMILES: | Clc1c(cccc1)C2(NC)C(=O)CCCC2 | InChi: | InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1 | Synonyms: | (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone | Definition date: | 2011-05-02 | Last modified: | 2021-03-01 | Release date: | 2012-08-24 | Identifier: | (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone |
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![TMC TMC](https://data.pdbj.org/pdbjplus/data/cc/svg/TMC.svg) | TMC | Name: | 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE | Formula: | C12 H16 N2 O4 | SMILES: | O=C1C(=CN(C(=O)N1)C3C2C(CO)(C2)C(O)C3)C | InChi: | InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1 | Synonyms: | (N)-METHANOCARBA-THYMIDINE | Definition date: | 2000-05-24 | Last modified: | 2021-03-01 | Identifier: | 1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione |
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![UT0 UT0](https://data.pdbj.org/pdbjplus/data/cc/svg/UT0.svg) | UT0 | Name: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone | Formula: | C19 H20 N2 O4 S | SMILES: | CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O | InChi: | InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3 | Synonyms: | UT07C | Definition date: | 2016-12-09 | Last modified: | 2021-03-01 | Release date: | 2017-12-20 | Identifier: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone |
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![T7M T7M](https://data.pdbj.org/pdbjplus/data/cc/svg/T7M.svg) | T7M | Name: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | Formula: | C46 H82 O16 P2 | SMILES: | O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCC | InChi: | InChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h11,13,17,19,21,23,27,29,38,41-46,49-52H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42+,43-,44-,45+,46+/m1/s1 | Synonyms: | Phosphatidylinositol-4-phosphate | Definition date: | 2011-07-22 | Last modified: | 2021-03-01 | Identifier: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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![SSO SSO](https://data.pdbj.org/pdbjplus/data/cc/svg/SSO.svg) | SSO | Name: | 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT | Formula: | C9 H18 O9 S2 | SMILES: | [O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1 | InChi: | InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7+,8-,9+,19-/m1/s1 | Synonyms: | SALACINOL | Definition date: | 2004-06-22 | Last modified: | 2021-03-01 | Identifier: | ({[(1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name) |
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![VOG VOG](https://data.pdbj.org/pdbjplus/data/cc/svg/VOG.svg) | VOG | Name: | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | Formula: | C10 H21 N O7 | SMILES: | C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO | InChi: | InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1 | Synonyms: | voglibose | Definition date: | 2018-01-30 | Last modified: | 2021-03-01 | Release date: | 2018-02-28 | Identifier: | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
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![U16 U16](https://data.pdbj.org/pdbjplus/data/cc/svg/U16.svg) | U16 | Name: | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE | Formula: | C22 H35 N3 O5 | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C(C)C)C)CC(C)C | InChi: | InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1 | Synonyms: | 2-{2-[3-AMINO-2-HYDROXY-3-(4-ISOPROPYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-4-METHYL-PENTANOIC ACID METHYL ESTER | Definition date: | 2006-04-03 | Last modified: | 2021-03-01 | Identifier: | methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(1-methylethyl)phenyl]propanoyl}-L-alanyl-D-leucinate |
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![SE8 SE8](https://data.pdbj.org/pdbjplus/data/cc/svg/SE8.svg) | SE8 | Name: | 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid | Formula: | C16 H24 N4 O11 | SMILES: | O=C(NCC(C(=O)O)N)CC(O)(C(=O)O)CC(=O)NCCNC(=O)CCC(=O)C(=O)O | InChi: | InChI=1S/C16H24N4O11/c17-8(13(25)26)7-20-12(24)6-16(31,15(29)30)5-11(23)19-4-3-18-10(22)2-1-9(21)14(27)28/h8,31H,1-7,17H2,(H,18,22)(H,19,23)(H,20,24)(H,25,26)(H,27,28)(H,29,30)/t8-,16-/m0/s1 | Synonyms: | Staphyloferrin B | Definition date: | 2010-05-14 | Last modified: | 2021-03-01 | Identifier: | 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid |
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![R71 R71](https://data.pdbj.org/pdbjplus/data/cc/svg/R71.svg) | R71 | Name: | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | Formula: | C23 H27 Br F N O2 | SMILES: | O=C(c1ccc(Br)cc1)c2ccc(OCCCCCCN(CC=C)C)cc2F | InChi: | InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3 | Synonyms: | Ro 48-8071 | Definition date: | 2002-01-09 | Last modified: | 2021-03-01 | Identifier: | (4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone |
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![UGA UGA](https://data.pdbj.org/pdbjplus/data/cc/svg/UGA.svg) | UGA | Name: | URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | Formula: | C15 H22 N2 O18 P2 | SMILES: | O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O | InChi: | InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1 | Synonyms: | UDP-GLUCURONIC ACID | Definition date: | 1999-12-13 | Last modified: | 2021-03-01 | Identifier: | (2S,3S,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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![SEH SEH](https://data.pdbj.org/pdbjplus/data/cc/svg/SEH.svg) | SEH | Name: | S-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE | Formula: | C10 H13 N O4 S2 | SMILES: | O=S(=O)(O)ON=C(/SCC)Cc1ccccc1 | InChi: | InChI=1S/C10H13NO4S2/c1-2-16-10(11-15-17(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)/b11-10- | Synonyms: | ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE | Definition date: | 2004-10-08 | Last modified: | 2021-03-01 | Identifier: | ethyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate |
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![U1K U1K](https://data.pdbj.org/pdbjplus/data/cc/svg/U1K.svg) | U1K | Name: | (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID | Formula: | C10 H16 N2 O3 S | SMILES: | [O-]c1nsc(c1CC(C(=O)O)[NH3+])C(C)(C)C | InChi: | InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1 | Synonyms: | THIO-ATPA | Definition date: | 2003-08-05 | Last modified: | 2021-03-01 | Identifier: | 4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate |
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![YIN YIN](https://data.pdbj.org/pdbjplus/data/cc/svg/YIN.svg) | YIN | Name: | (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine | Formula: | C24 H16 Br2 N4 O | SMILES: | Brc1ccc(cc1)C2N6N=CNC6=NC4=C2C(Oc3ccccc34)c5ccc(Br)cc5 | InChi: | InChI=1S/C24H16Br2N4O/c25-16-9-5-14(6-10-16)22-20-21(29-24-27-13-28-30(22)24)18-3-1-2-4-19(18)31-23(20)15-7-11-17(26)12-8-15/h1-13,22-23H,(H,27,28,29)/t22-,23+/m0/s1 | Synonyms: | chromenotriazolopyrimidine 1 | Definition date: | 2009-09-25 | Last modified: | 2021-03-01 | Identifier: | (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine |
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![X3X X3X](https://data.pdbj.org/pdbjplus/data/cc/svg/X3X.svg) | X3X | Name: | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate | Formula: | C6 H15 O8 P | SMILES: | O=P(OCC(O)CO)(OCC(O)CO)O | InChi: | InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1 | Synonyms: | diglycerolphosphate | Definition date: | 2013-10-14 | Last modified: | 2021-03-01 | Release date: | 2013-11-13 | Identifier: | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate |
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![UTX UTX](https://data.pdbj.org/pdbjplus/data/cc/svg/UTX.svg) | UTX | Name: | 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide | Formula: | C21 H29 B12 N6 O5 S | SMILES: | ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21 | InChi: | InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1 | Synonyms: | UTX-97 | Definition date: | 2016-12-08 | Last modified: | 2021-03-01 | Release date: | 2017-06-28 |
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![W54 W54](https://data.pdbj.org/pdbjplus/data/cc/svg/W54.svg) | W54 | Name: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE | Formula: | C18 H20 Cl2 N2 O3 | SMILES: | Clc3c(OCCCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3 | InChi: | InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3 | Synonyms: | WIN54954 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole |
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![YIX YIX](https://data.pdbj.org/pdbjplus/data/cc/svg/YIX.svg) | YIX | Name: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea | Formula: | C19 H23 N5 O S | SMILES: | O=C(NCC)NCc3ccccc3Sc1cn2c(nnc2cc1)C(C)C | InChi: | InChI=1S/C19H23N5OS/c1-4-20-19(25)21-11-14-7-5-6-8-16(14)26-15-9-10-17-22-23-18(13(2)3)24(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H2,20,21,25) | Synonyms: | CE-159167 | Definition date: | 2011-05-17 | Last modified: | 2021-03-01 | Identifier: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea |
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![W56 W56](https://data.pdbj.org/pdbjplus/data/cc/svg/W56.svg) | W56 | Name: | 5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE | Formula: | C19 H24 N2 O3 | SMILES: | N1=C(OCC1C)c3ccc(OCCCCCc2onc(c2)C)cc3 | InChi: | InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m0/s1 | Synonyms: | COMPOUND V(S) | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 3-methyl-5-(5-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}pentyl)isoxazole |
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![TNC TNC](https://data.pdbj.org/pdbjplus/data/cc/svg/TNC.svg) | TNC | Name: | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE | Formula: | C21 H20 N2 O6 | SMILES: | O=C(N)C4=C(O)C3=C(O)c2c(O)c1c(O)cccc1cc2CC3C(N(C)C)C4=O | InChi: | InChI=1S/C21H20N2O6/c1-23(2)16-10-7-9-6-8-4-3-5-11(24)12(8)17(25)13(9)18(26)14(10)19(27)15(20(16)28)21(22)29/h3-6,10,16,24-27H,7H2,1-2H3,(H2,22,29)/t10-,16+/m1/s1 | Synonyms: | DEHYDRATED SANCYCLINE | Definition date: | 2003-01-03 | Last modified: | 2021-03-01 | Identifier: | (4S,4aR)-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydrotetracene-2-carboxamide |
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![W59 W59](https://data.pdbj.org/pdbjplus/data/cc/svg/W59.svg) | W59 | Name: | 5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE | Formula: | C22 H30 N2 O3 | SMILES: | N1=C(OCC1CC)c3ccc(OCCCCCCCc2onc(c2)C)cc3 | InChi: | InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3/t19-/m0/s1 | Synonyms: | COMPOUND III(S) | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 5-(7-{4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methylisoxazole |
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![VPD VPD](https://data.pdbj.org/pdbjplus/data/cc/svg/VPD.svg) | VPD | Name: | 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C19 H29 Cl N5 O9 P | SMILES: | C(CO)(OCC1C(C(C(O1)n4c2c(c(nc(Cl)n2)NC3CCCC3)cn4)O)O)(COC)P(=O)(O)O | InChi: | InChI=1S/C19H29ClN5O9P/c1-32-9-19(8-26,35(29,30)31)33-7-12-13(27)14(28)17(34-12)25-16-11(6-21-25)15(23-18(20)24-16)22-10-4-2-3-5-10/h6,10,12-14,17,26-28H,2-5,7-9H2,1H3,(H,22,23,24)(H2,29,30,31)/t12-,13-,14-,17-,19-/m1/s1 | Synonyms: | OP-0105244 | Definition date: | 2020-08-31 | Last modified: | 2021-03-01 | Release date: | 2020-09-23 | Identifier: | 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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