![FNC FNC](https://data.pdbj.org/pdbjplus/data/cc/svg/FNC.svg) | FNC | Name: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C19 H23 N5 O | SMILES: | CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4cc[nH]c4C(=O)N3C | InChi: | InChI=1S/C19H23N5O/c1-23-11-14(13-6-4-3-5-7-13)10-15(12-23)21-19-22-16-8-9-20-17(16)18(25)24(19)2/h3-9,14-15,20H,10-12H2,1-2H3,(H,21,22)/t14-,15+/m0/s1 | Definition date: | 2020-06-11 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
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![FNO FNO](https://data.pdbj.org/pdbjplus/data/cc/svg/FNO.svg) | FNO | Name: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione | Formula: | C16 H16 O5 | SMILES: | CC(C)=CC[CH](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O | InChi: | InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1 | Synonyms: | shikonin | Definition date: | 2020-06-11 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-[(1~{R})-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione |
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![JT8 JT8](https://data.pdbj.org/pdbjplus/data/cc/svg/JT8.svg) | JT8 | Name: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione | Formula: | C33 H48 N4 O4 | SMILES: | O[CH]1CC(=O)N[CH](Cc2ccccn2)C(=O)NCCCCCCCCCCCCCC(=O)N[CH]1Cc3ccccc3 | InChi: | InChI=1S/C33H48N4O4/c38-30-25-32(40)37-29(24-27-19-14-16-21-34-27)33(41)35-22-15-9-7-5-3-1-2-4-6-8-13-20-31(39)36-28(30)23-26-17-11-10-12-18-26/h10-12,14,16-19,21,28-30,38H,1-9,13,15,20,22-25H2,(H,35,41)(H,36,39)(H,37,40)/t28-,29-,30-/m0/s1 | Definition date: | 2019-03-26 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione |
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![FVR FVR](https://data.pdbj.org/pdbjplus/data/cc/svg/FVR.svg) | FVR | Name: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C26 H29 N5 O2 | SMILES: | CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4C | InChi: | InChI=1S/C26H29N5O2/c1-30-15-20(19-8-10-22(11-9-19)33-17-18-6-4-3-5-7-18)14-21(16-30)28-26-29-23-12-13-27-24(23)25(32)31(26)2/h3-13,20-21,27H,14-17H2,1-2H3,(H,28,29)/t20-,21+/m0/s1 | Definition date: | 2020-06-19 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
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![F8R F8R](https://data.pdbj.org/pdbjplus/data/cc/svg/F8R.svg) | F8R | Name: | 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone | Formula: | C28 H33 N7 O4 S | SMILES: | COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccccc4[S](=O)(=O)C(C)C)c5[nH]ccc5n3 | InChi: | InChI=1S/C28H33N7O4S/c1-17(2)40(37,38)24-9-7-6-8-19(24)30-27-26-20(10-12-29-26)31-28(33-27)32-21-15-22-18(14-23(21)39-5)11-13-35(22)25(36)16-34(3)4/h6-10,12,14-15,17,29H,11,13,16H2,1-5H3,(H2,30,31,32,33) | Definition date: | 2020-04-15 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone |
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![OPW OPW](https://data.pdbj.org/pdbjplus/data/cc/svg/OPW.svg) | OPW | Name: | ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide | Formula: | C15 H13 N3 O2 S | SMILES: | COc1ccc2sc(nc2c1)c3cncc(NC(C)=O)c3 | InChi: | InChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19) | Definition date: | 2020-03-26 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide |
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![OQT OQT](https://data.pdbj.org/pdbjplus/data/cc/svg/OQT.svg) | OQT | Name: | 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide | Formula: | C16 H13 F3 N2 O2 S | SMILES: | N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc3ccccc23 | InChi: | InChI=1S/C16H13F3N2O2S/c17-11-8-12(18)15(16(14(11)19)24(20,22)23)21-13-7-3-5-9-4-1-2-6-10(9)13/h1-4,6-8,13,21H,5H2,(H2,20,22,23)/t13-/m0/s1 | Synonyms: | 2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide | Definition date: | 2020-03-30 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide |
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![OQW OQW](https://data.pdbj.org/pdbjplus/data/cc/svg/OQW.svg) | OQW | Name: | 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide | Formula: | C14 H19 F3 N2 O2 S | SMILES: | N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2 | InChi: | InChI=1S/C14H19F3N2O2S/c15-10-8-11(16)13(14(12(10)17)22(18,20)21)19-9-6-4-2-1-3-5-7-9/h8-9,19H,1-7H2,(H2,18,20,21) | Synonyms: | 2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide | Definition date: | 2020-03-30 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide |
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![Q7B Q7B](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7B.svg) | Q7B | Name: | (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid | Formula: | C18 H18 O2 | SMILES: | Cc1ccc(C[C]2(C[CH]2c3ccccc3)C(O)=O)cc1 | InChi: | InChI=1S/C18H18O2/c1-13-7-9-14(10-8-13)11-18(17(19)20)12-16(18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)/t16-,18+/m0/s1 | Definition date: | 2020-05-26 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid |
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![Q9Q Q9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9Q.svg) | Q9Q | Name: | 4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzyl-a-L-thiofucoside | Formula: | C24 H37 N3 O9 S | SMILES: | C[CH]1O[CH](SCc2ccc(OCc3cn(CCOCCOCCOCCO)nn3)cc2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C24H37N3O9S/c1-17-21(29)22(30)23(31)24(36-17)37-16-18-2-4-20(5-3-18)35-15-19-14-27(26-25-19)6-8-32-10-12-34-13-11-33-9-7-28/h2-5,14,17,21-24,28-31H,6-13,15-16H2,1H3/t17-,21+,22+,23-,24-/m0/s1 | Synonyms: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[4-[[1-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methoxy]p
henyl]methylsulfanyl]-6-methyl-oxane-3,4,5-triol | Definition date: | 2020-05-28 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[4-[[1-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methoxy]phenyl]methylsulfanyl]-6-methyl-oxane-3,4,5-triol |
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![QEE QEE](https://data.pdbj.org/pdbjplus/data/cc/svg/QEE.svg) | QEE | Name: | ~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate | Formula: | C15 H16 N6 O3 | SMILES: | CC(C)(C)OC(=O)c1ccc(nc1)n2ncc(n3ccnn3)c2O | InChi: | InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,22H,1-3H3 | Synonyms: | tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate | Definition date: | 2020-06-10 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | ~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate |
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![QEQ QEQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QEQ.svg) | QEQ | Name: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol | Formula: | C13 H14 N8 O2 | SMILES: | Oc1n(ncc1n2ccnn2)c3cc(ncn3)N4CCOCC4 | InChi: | InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,22H,3-6H2 | Synonyms: | 1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol | Definition date: | 2020-06-10 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol |
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![QT5 QT5](https://data.pdbj.org/pdbjplus/data/cc/svg/QT5.svg) | QT5 | Name: | [3-(2-methylimidazol-1-yl)phenyl]methanamine | Formula: | C11 H13 N3 | SMILES: | Cc1nccn1c2cccc(CN)c2 | InChi: | InChI=1S/C11H13N3/c1-9-13-5-6-14(9)11-4-2-3-10(7-11)8-12/h2-7H,8,12H2,1H3 | Definition date: | 2020-08-05 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | [3-(2-methylimidazol-1-yl)phenyl]methanamine |
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![RVZ RVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RVZ.svg) | RVZ | Name: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile | Formula: | C17 H12 N6 S | SMILES: | Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccccc3)c1C#N | InChi: | InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22) | Definition date: | 2020-10-25 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile |
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![DE7 DE7](https://data.pdbj.org/pdbjplus/data/cc/svg/DE7.svg) | DE7 | Name: | (2-nitro-4-{[(3S)-piperidin-3-yl]amino}phenyl)methanol | Formula: | C12 H17 N3 O3 | SMILES: | [O-][N+](=O)c1cc(NC2CCCNC2)ccc1CO | InChi: | InChI=1S/C12H17N3O3/c16-8-9-3-4-10(6-12(9)15(17)18)14-11-2-1-5-13-7-11/h3-4,6,11,13-14,16H,1-2,5,7-8H2/t11-/m0/s1 | Definition date: | 2017-10-24 | Last modified: | 2021-03-30 | Release date: | 2018-10-03 | Identifier: | (2-nitro-4-{[(3S)-piperidin-3-yl]amino}phenyl)methanol |
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![V97 V97](https://data.pdbj.org/pdbjplus/data/cc/svg/V97.svg) | V97 | Name: | N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid | Formula: | C20 H22 N4 O6 S2 | SMILES: | c23sc(CCCCc1ccc(C(=O)NC(CCC(O)=O)C(O)=O)s1)cc2C(NC(=N3)N)=O | InChi: | InChI=1S/C20H22N4O6S2/c21-20-23-16(27)12-9-11(32-18(12)24-20)4-2-1-3-10-5-7-14(31-10)17(28)22-13(19(29)30)6-8-15(25)26/h5,7,9,13H,1-4,6,8H2,(H,22,28)(H,25,26)(H,29,30)(H3,21,23,24,27)/t13-/m0/s1 | Definition date: | 2020-07-20 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid |
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![V9A V9A](https://data.pdbj.org/pdbjplus/data/cc/svg/V9A.svg) | V9A | Name: | N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid | Formula: | C20 H22 N4 O7 S | SMILES: | OC(CCC(C(O)=O)NC(=O)c3ccc(CCCCc1cc2c(s1)N=C(N)NC2=O)o3)=O | InChi: | InChI=1S/C20H22N4O7S/c21-20-23-16(27)12-9-11(32-18(12)24-20)4-2-1-3-10-5-7-14(31-10)17(28)22-13(19(29)30)6-8-15(25)26/h5,7,9,13H,1-4,6,8H2,(H,22,28)(H,25,26)(H,29,30)(H3,21,23,24,27)/t13-/m0/s1 | Definition date: | 2020-07-20 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid |
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![V9V V9V](https://data.pdbj.org/pdbjplus/data/cc/svg/V9V.svg) | V9V | Name: | N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid | Formula: | C19 H20 N4 O6 S2 | SMILES: | c21C(NC(=Nc1sc(c2)CCCc3ccc(C(NC(CCC(=O)O)C(=O)O)=O)s3)N)=O | InChi: | InChI=1S/C19H20N4O6S2/c20-19-22-15(26)11-8-10(31-17(11)23-19)3-1-2-9-4-6-13(30-9)16(27)21-12(18(28)29)5-7-14(24)25/h4,6,8,12H,1-3,5,7H2,(H,21,27)(H,24,25)(H,28,29)(H3,20,22,23,26)/t12-/m0/s1 | Definition date: | 2020-07-21 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-{5-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid |
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![YOY YOY](https://data.pdbj.org/pdbjplus/data/cc/svg/YOY.svg) | YOY | Name: | [[(2S,3aS,5S,6R,6aS)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C28 H47 N5 O14 P2 | SMILES: | CCCCCCCCCCCC[CH]1O[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O1 | InChi: | InChI=1S/C28H47N5O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-19-45-24-22(35)18(44-28(24)46-19)14-42-49(39,40)47-48(37,38)41-13-17-21(34)23(36)27(43-17)33-16-32-20-25(29)30-15-31-26(20)33/h15-19,21-24,27-28,34-36H,2-14H2,1H3,(H,37,38)(H,39,40)(H2,29,30,31)/t17-,18+,19+,21-,22-,23-,24+,27-,28+/m1/s1 | Definition date: | 2019-11-08 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [[(2~{S},3~{a}~{S},5~{S},6~{R},6~{a}~{S})-2-dodecyl-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![YDD YDD](https://data.pdbj.org/pdbjplus/data/cc/svg/YDD.svg) | YDD | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate | Formula: | C29 H51 N5 O14 P2 | SMILES: | CCCCCCCCCCCCCCO[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O | InChi: | InChI=1S/C29H51N5O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-43-29-25(38)23(36)20(47-29)16-45-50(41,42)48-49(39,40)44-15-19-22(35)24(37)28(46-19)34-18-33-21-26(30)31-17-32-27(21)34/h17-20,22-25,28-29,35-38H,2-16H2,1H3,(H,39,40)(H,41,42)(H2,30,31,32)/t19-,20-,22-,23-,24-,25-,28-,29+/m1/s1 | Definition date: | 2019-11-08 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate |
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![VKM VKM](https://data.pdbj.org/pdbjplus/data/cc/svg/VKM.svg) | VKM | Name: | 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one | Formula: | C19 H17 F N6 O3 | SMILES: | Cn5c4C(N(Cc3nc(C2CC(c1ccc(cc1)F)OC2)no3)C=Nc4nc5)=O | InChi: | InChI=1S/C19H17FN6O3/c1-25-9-21-18-16(25)19(27)26(10-22-18)7-15-23-17(24-29-15)12-6-14(28-8-12)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14+/m0/s1 | Definition date: | 2020-08-21 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one |
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![G9R G9R](https://data.pdbj.org/pdbjplus/data/cc/svg/G9R.svg) | G9R | Name: | CHLOROPHYLL D ISOMER | Formula: | C54 H70 Mg N4 O6 | SMILES: | CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C | InChi: | InChI=1S/C54H71N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3 | Definition date: | 2020-08-07 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 |
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![GF3 GF3](https://data.pdbj.org/pdbjplus/data/cc/svg/GF3.svg) | GF3 | Name: | spiro[1H-2-benzofuran-3,4'-piperidine] | Formula: | C12 H15 N O | SMILES: | C1CC2(CCN1)OCc3ccccc23 | InChi: | InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2 | Definition date: | 2020-08-26 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | spiro[1~{H}-2-benzofuran-3,4'-piperidine] |
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![GGF GGF](https://data.pdbj.org/pdbjplus/data/cc/svg/GGF.svg) | GGF | Name: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one | Formula: | C20 H22 F2 N10 O12 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)NC(=Nc67)N | InChi: | InChI=1S/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t5-,6-,7-,8-,11-,12-,17-,18-/m1/s1 | Definition date: | 2020-03-20 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one |
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![TOV TOV](https://data.pdbj.org/pdbjplus/data/cc/svg/TOV.svg) | TOV | Name: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | Formula: | C24 H20 F N5 O3 S | SMILES: | O=C(c1cc(ccc1F)O)Nc4cccc(c3c(c2cc(NC(C)=O)ncc2)nc(n3)SC)c4 | InChi: | InChI=1S/C24H20FN5O3S/c1-13(31)27-20-11-15(8-9-26-20)22-21(29-24(30-22)34-2)14-4-3-5-16(10-14)28-23(33)18-12-17(32)6-7-19(18)25/h3-12,32H,1-2H3,(H,28,33)(H,29,30)(H,26,27,31) | Definition date: | 2020-03-25 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide |
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