![R1T R1T](https://data.pdbj.org/pdbjplus/data/cc/svg/R1T.svg) | R1T | Name: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | Formula: | C15 H23 N3 O8 P2 S | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C | InChi: | InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m1/s1 | Synonyms: | 2-[(1R)-1-HYDROXYETHYL]-3-DEAZA-THDP | Definition date: | 2007-06-18 | Last modified: | 2021-03-01 | Identifier: | 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate |
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![5LD 5LD](https://data.pdbj.org/pdbjplus/data/cc/svg/5LD.svg) | 5LD | Name: | [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | Formula: | C5 H10 N3 O4 P | SMILES: | OP(O)(CC(O)Cn1ncnc1)=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-/m1/s1 | Synonyms: | (R)-C348 | Definition date: | 2015-09-10 | Last modified: | 2021-03-01 | Release date: | 2016-10-05 | Identifier: | [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid |
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![XUG XUG](https://data.pdbj.org/pdbjplus/data/cc/svg/XUG.svg) | XUG | Name: | 2'-SE-METHYL-2'-SELENOGUANOSINE 5'-(DIHYDROGEN PHOSPHATE) | Formula: | C11 H16 N5 O7 P Se | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3[Se]C)COP(=O)(O)O | InChi: | InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1 | Synonyms: | (D)-2'-METHYLSELENYL-2'-DEOXYGUANOSINE-5'-PHOSPHATE | Definition date: | 2006-05-18 | Last modified: | 2021-03-01 | Identifier: | 2'-Se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate) |
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![V47 V47](https://data.pdbj.org/pdbjplus/data/cc/svg/V47.svg) | V47 | Name: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine | Formula: | C19 H19 N5 O6 | SMILES: | OC2C(CCC(=O)c1cccc(C(=O)O)c1)OC(C2O)n4cnc3c4ncnc3N | InChi: | InChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 | Synonyms: | Aminofutalosine | Definition date: | 2020-06-23 | Last modified: | 2021-03-01 | Release date: | 2020-07-15 | Identifier: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine |
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![RFX RFX](https://data.pdbj.org/pdbjplus/data/cc/svg/RFX.svg) | 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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![ZEZ ZEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZEZ.svg) | ZEZ | Name: | (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol | Formula: | C10 H13 N5 O | SMILES: | n2c1c(ncn1)c(nc2)NC/C=C(/C)CO | InChi: | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2- | Synonyms: | CIS-ZEATIN | Definition date: | 2008-03-03 | Last modified: | 2021-03-01 | Identifier: | (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol |
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![R21 R21](https://data.pdbj.org/pdbjplus/data/cc/svg/R21.svg) | R21 | Name: | 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide | Formula: | C16 H17 Cl N2 O4 S | SMILES: | Clc1cc(ccc1O)CC(=O)NCCc2ccc(cc2)S(=O)(=O)N | InChi: | InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23) | Synonyms: | 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide | Definition date: | 2010-06-14 | Last modified: | 2021-03-01 | Identifier: | 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
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![TI3 TI3](https://data.pdbj.org/pdbjplus/data/cc/svg/TI3.svg) | TI3 | Name: | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-GLY-(5-PHENYLPROLINE) | Formula: | C22 H24 N2 O4 S | SMILES: | O=C(N2C(C(=O)O)CCC2c1ccccc1)CNC(=O)C(S)Cc3ccccc3 | InChi: | InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19+/m1/s1 | Synonyms: | RB106 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | N-[(2S)-3-phenyl-2-sulfanylpropanoyl]glycyl-(5R)-5-phenyl-L-proline |
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![YC2 YC2](https://data.pdbj.org/pdbjplus/data/cc/svg/YC2.svg) | YC2 | Name: | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid | Formula: | C19 H24 I N3 O8 | SMILES: | O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O | InChi: | InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1 | Synonyms: | (S)-2-(3-((S)-1-carboxy-(4-iodobenzamido)pentyl)ureido)pentanedioic acid | Definition date: | 2008-06-05 | Last modified: | 2021-03-01 | Identifier: | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid |
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![R27 R27](https://data.pdbj.org/pdbjplus/data/cc/svg/R27.svg) | R27 | Name: | N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide | Formula: | C46 H73 N3 O12 | SMILES: | C4C(C=C(/C)C3C(C)C(CC(=NNC(=O)C)C(C=C(CC(C)CC(OC)C1C(OC)CC(C(O1)(O)C(C(N2C(CCCC2)C(O3)=O)=O)=O)C)C)C[C@H]=C)O)CCC(C4OC)O | InChi: | InChI=1S/C46H73N3O12/c1-11-14-33-20-26(2)19-27(3)21-39(58-9)42-40(59-10)23-29(5)46(56,61-42)43(53)44(54)49-18-13-12-15-35(49)45(55)60-41(30(6)37(52)25-34(33)48-47-31(7)50)28(4)22-32-16-17-36(51)38(24-32)57-8/h11,20,22,27,29-30,32-33,35-42,51-52,56H,1,12-19,21,23-25H2,2-10H3,(H,47,50)/b26-20+,28-22+,48-34-/t27-,29+,30+,32-,33+,35-,36+,37-,38+,39-,40-,41+,42+,46+/m0/s1 | Synonyms: | APX879 | Definition date: | 2020-01-23 | Last modified: | 2021-03-01 | Release date: | 2020-12-16 | Identifier: | N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide |
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![TWO TWO](https://data.pdbj.org/pdbjplus/data/cc/svg/TWO.svg) | TWO | Name: | 3,4-dimethoxybenzoic acid | Formula: | C9 H10 O4 | SMILES: | O=C(O)c1cc(OC)c(OC)cc1 | InChi: | InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11) | Synonyms: | VERATRIC ACID | Definition date: | 2012-04-09 | Last modified: | 2021-03-01 | Release date: | 2013-02-15 | Identifier: | 3,4-dimethoxybenzoic acid |
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![5LY 5LY](https://data.pdbj.org/pdbjplus/data/cc/svg/5LY.svg) | 5LY | Name: | 1-[[(2~{R},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | Formula: | C19 H17 Cl2 N3 O3 | SMILES: | C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl | InChi: | InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m1/s1 | Synonyms: | Difenoconazole | Definition date: | 2015-10-21 | Last modified: | 2021-03-01 | Release date: | 2016-02-10 | Identifier: | 1-[[(2~{R},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole |
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![NRN NRN](https://data.pdbj.org/pdbjplus/data/cc/svg/NRN.svg) | NRN | Name: | (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol | Formula: | C10 H13 N5 O3 | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O | InChi: | InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1 | Synonyms: | noraristeromycin | Definition date: | 2015-07-31 | Last modified: | 2021-03-01 | Release date: | 2016-07-27 | Identifier: | (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol |
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![5LZ 5LZ](https://data.pdbj.org/pdbjplus/data/cc/svg/5LZ.svg) | 5LZ | Name: | 1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | Formula: | C19 H17 Cl2 N3 O3 | SMILES: | C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl | InChi: | InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m1/s1 | Synonyms: | Difenoconazole | Definition date: | 2015-10-21 | Last modified: | 2021-03-01 | Release date: | 2016-02-10 | Identifier: | 1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole |
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![5M0 5M0](https://data.pdbj.org/pdbjplus/data/cc/svg/5M0.svg) | 5M0 | Name: | 2-azanyl-5-methyl-benzoic acid | Formula: | C8 H9 N O2 | SMILES: | O=C(O)c1cc(ccc1N)C | InChi: | InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11) | Synonyms: | 5-methylanthranilate | Definition date: | 2014-02-06 | Last modified: | 2021-03-01 | Release date: | 2014-04-23 | Identifier: | 2-amino-5-methylbenzoic acid |
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![SA2 SA2](https://data.pdbj.org/pdbjplus/data/cc/svg/SA2.svg) | SA2 | Name: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE | Formula: | C13 H19 N O9 S | SMILES: | O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O | InChi: | InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1 | Synonyms: | 4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID | Definition date: | 2006-06-09 | Last modified: | 2021-03-01 | Identifier: | (3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine |
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![RUR RUR](https://data.pdbj.org/pdbjplus/data/cc/svg/RUR.svg) | 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 |
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![XDM XDM](https://data.pdbj.org/pdbjplus/data/cc/svg/XDM.svg) | XDM | Name: | ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | Formula: | C17 H19 Cl N2 O2 | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc(Cl)c2 | InChi: | InChI=1S/C17H19ClN2O2/c1-4-14-15(11(3)21)10(2)20-16(14)17(22)19-9-12-6-5-7-13(18)8-12/h5-8,20H,4,9H2,1-3H3,(H,19,22) | Synonyms: | XDM1 | Definition date: | 2016-08-13 | Last modified: | 2021-03-01 | Release date: | 2017-08-16 | Identifier: | ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide |
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![YCL YCL](https://data.pdbj.org/pdbjplus/data/cc/svg/YCL.svg) | YCL | Name: | 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid | Formula: | C15 H19 Cl N4 O4 | SMILES: | ClCC(=[N@H])NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O | InChi: | InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1 | Synonyms: | o-Cl-amidine | Definition date: | 2011-08-08 | Last modified: | 2021-03-01 | Identifier: | 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid |
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![QO4 QO4](https://data.pdbj.org/pdbjplus/data/cc/svg/QO4.svg) | QO4 | Name: | 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one | Formula: | C20 H23 F6 N7 O3 | SMILES: | C(CC(=O)N1CCN(CC1)c2ncc(C(F)(F)F)cn2)OCC(C)NC3=C(C(=O)NN=C3)C(F)(F)F | InChi: | InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1 | Synonyms: | RBN-2397 | Definition date: | 2019-11-27 | Last modified: | 2021-03-01 | Release date: | 2020-12-16 | Identifier: | 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one |
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![W01 W01](https://data.pdbj.org/pdbjplus/data/cc/svg/W01.svg) | W01 | Name: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL | Formula: | C17 H21 N5 O2 | SMILES: | n1n(nnc1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C | InChi: | InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3 | Synonyms: | WIN61209 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 5-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-2-methyl-2H-tetrazole |
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![TIM TIM](https://data.pdbj.org/pdbjplus/data/cc/svg/TIM.svg) | TIM | Name: | (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol | Formula: | C13 H24 N4 O3 S | SMILES: | OC(COc1nsnc1N2CCOCC2)CNC(C)(C)C | InChi: | InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 | Synonyms: | Timolol maleate | Definition date: | 2008-05-22 | Last modified: | 2021-03-01 | Identifier: | (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
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![XDN XDN](https://data.pdbj.org/pdbjplus/data/cc/svg/XDN.svg) | XDN | Name: | PIPERIDINE-3,4,5-TRIOL | Formula: | C5 H11 N O3 | SMILES: | OC1CNCC(O)C1O | InChi: | InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+ | Synonyms: | XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN | Definition date: | 2000-08-16 | Last modified: | 2021-03-01 | Identifier: | (3R,4r,5S)-piperidine-3,4,5-triol |
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![W02 W02](https://data.pdbj.org/pdbjplus/data/cc/svg/W02.svg) | W02 | Name: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL | Formula: | C17 H21 N5 O2 | SMILES: | n1c(nnn1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C | InChi: | InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3 | Synonyms: | WIN68934 | Definition date: | 1999-07-20 | Last modified: | 2021-03-01 | Identifier: | 2-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-methyl-2H-tetrazole |
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![TIO TIO](https://data.pdbj.org/pdbjplus/data/cc/svg/TIO.svg) | TIO | Name: | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE | Formula: | C12 H15 N O3 S | SMILES: | O=C(O)CNC(=O)C(CS)Cc1ccccc1 | InChi: | InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1 | Synonyms: | THIORPHAN | Definition date: | 1999-12-20 | Last modified: | 2021-03-01 | Identifier: | N-[(2S)-2-benzyl-3-sulfanylpropanoyl]glycine |
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