![AQK AQK](https://data.pdbj.org/pdbjplus/data/cc/svg/AQK.svg) | AQK | Name: | (2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid | Formula: | C7 H14 N2 O4 | SMILES: | NCCC[CH](NCC(O)=O)C(O)=O | InChi: | InChI=1S/C7H14N2O4/c8-3-1-2-5(7(12)13)9-4-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1 | Definition date: | 2017-08-22 | Last modified: | 2017-12-15 | Release date: | 2017-12-20 | Identifier: | (2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid |
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![AQQ AQQ](https://data.pdbj.org/pdbjplus/data/cc/svg/AQQ.svg) | AQQ | Name: | (2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid | Formula: | C8 H16 N2 O4 | SMILES: | C[CH](N[CH](CCCN)C(O)=O)C(O)=O | InChi: | InChI=1S/C8H16N2O4/c1-5(7(11)12)10-6(8(13)14)3-2-4-9/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6+/m1/s1 | Definition date: | 2017-08-22 | Last modified: | 2017-12-15 | Release date: | 2017-12-20 | Identifier: | (2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid |
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![I0D I0D](https://data.pdbj.org/pdbjplus/data/cc/svg/I0D.svg) | I0D | Name: | 4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one | Formula: | C15 H17 Cl N4 O | SMILES: | CN1CCc2c(C1)cccc2NC3=C(Cl)C(=O)N(C)N=C3 | InChi: | InChI=1S/C15H17ClN4O/c1-19-7-6-11-10(9-19)4-3-5-12(11)18-13-8-17-20(2)15(21)14(13)16/h3-5,8,18H,6-7,9H2,1-2H3 | Definition date: | 2016-12-06 | Last modified: | 2017-12-15 | Release date: | 2017-12-20 | Identifier: | 4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one |
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![IGF IGF](https://data.pdbj.org/pdbjplus/data/cc/svg/IGF.svg) | IGF | Name: | N,2,5-trimethyl-3-thiophenesulfonamide | Formula: | C7 H11 N O2 S2 | SMILES: | CN[S](=O)(=O)c1cc(C)sc1C | InChi: | InChI=1S/C7H11NO2S2/c1-5-4-7(6(2)11-5)12(9,10)8-3/h4,8H,1-3H3 | Definition date: | 2016-11-07 | Last modified: | 2017-12-15 | Release date: | 2017-12-20 | Identifier: | ~{N},2,5-trimethylthiophene-3-sulfonamide |
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![ACK ACK](https://data.pdbj.org/pdbjplus/data/cc/svg/ACK.svg) | ACK | Name: | 2',3'- cyclic AMP | Formula: | C10 H12 N5 O6 P | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[P](O)(=O)O[CH]34 | InChi: | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2006-06-16 | Last modified: | 2017-12-13 | Identifier: | [(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(6-aminopurin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol |
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![Y83 Y83](https://data.pdbj.org/pdbjplus/data/cc/svg/Y83.svg) | Y83 | Name: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | Formula: | C31 H37 N5 O3 S | SMILES: | CC(C)(C)OC(=O)NC(CSCC(C(=O)NCc1cnccc1)Nc2ccccc2)Cc4c3c(cccc3)nc4 | InChi: | InChI=1S/C31H37N5O3S/c1-31(2,3)39-30(38)36-25(16-23-19-33-27-14-8-7-13-26(23)27)20-40-21-28(35-24-11-5-4-6-12-24)29(37)34-18-22-10-9-15-32-17-22/h4-15,17,19,25,28,33,35H,16,18,20-21H2,1-3H3,(H,34,37)(H,36,38)/t25-,28+/m0/s1 | Definition date: | 2017-10-25 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate |
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![V45 V45](https://data.pdbj.org/pdbjplus/data/cc/svg/V45.svg) | V45 | Name: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide | Formula: | C23 H30 Cl N3 O5 | SMILES: | C1(CN(C(O1)=O)C(CC(C)C)C(=O)NC(CC2CCNC2=O)C=O)Cc3cccc(c3)Cl | InChi: | InChI=1S/C23H30ClN3O5/c1-14(2)8-20(22(30)26-18(13-28)11-16-6-7-25-21(16)29)27-12-19(32-23(27)31)10-15-4-3-5-17(24)9-15/h3-5,9,13-14,16,18-20H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)/t16-,18-,19?,20-/m0/s1 | Definition date: | 2017-07-14 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide |
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![7VF 7VF](https://data.pdbj.org/pdbjplus/data/cc/svg/7VF.svg) | 7VF | Name: | 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol | Formula: | C16 H13 N O2 | SMILES: | Cc1cc(ccc1O)c2ccnc3cc(O)ccc23 | InChi: | InChI=1S/C16H13NO2/c1-10-8-11(2-5-16(10)19)13-6-7-17-15-9-12(18)3-4-14(13)15/h2-9,18-19H,1H3 | Definition date: | 2017-01-19 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol |
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![7WY 7WY](https://data.pdbj.org/pdbjplus/data/cc/svg/7WY.svg) | 7WY | Name: | 5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine | Formula: | C22 H19 Cl N6 | SMILES: | c42c(c1c(C)nnn1CCN2c3ccc(cc3)Cl)ccc(c4)c5ccc(nc5)N | InChi: | InChI=1S/C22H19ClN6/c1-14-22-19-8-2-15(16-3-9-21(24)25-13-16)12-20(19)28(10-11-29(22)27-26-14)18-6-4-17(23)5-7-18/h2-9,12-13H,10-11H2,1H3,(H2,24,25) | Definition date: | 2016-12-09 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine |
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![80K 80K](https://data.pdbj.org/pdbjplus/data/cc/svg/80K.svg) | 80K | Name: | tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate | Formula: | C22 H30 N4 O3 S | SMILES: | CC(OC(NCCSCC(C(=O)NCc1cccnc1)Nc2ccccc2)=O)(C)C | InChi: | InChI=1S/C22H30N4O3S/c1-22(2,3)29-21(28)24-12-13-30-16-19(26-18-9-5-4-6-10-18)20(27)25-15-17-8-7-11-23-14-17/h4-11,14,19,26H,12-13,15-16H2,1-3H3,(H,24,28)(H,25,27)/t19-/m1/s1 | Definition date: | 2017-10-23 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate |
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![9VE 9VE](https://data.pdbj.org/pdbjplus/data/cc/svg/9VE.svg) | 9VE | Name: | [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate | Formula: | C32 H34 Cl2 F2 N3 O8 S | SMILES: | CN(C)C(=O)c1cccc(c1)[S](=O)(=O)N2CCC[CH]2C(=O)O[CH](Cc3c(Cl)c[n+](O)cc3Cl)c4ccc(OC(F)F)c(OCC5CC5)c4 | InChi: | InChI=1S/C32H34Cl2F2N3O8S/c1-37(2)30(40)21-5-3-6-22(13-21)48(43,44)39-12-4-7-26(39)31(41)46-28(15-23-24(33)16-38(42)17-25(23)34)20-10-11-27(47-32(35)36)29(14-20)45-18-19-8-9-19/h3,5-6,10-11,13-14,16-17,19,26,28,32,42H,4,7-9,12,15,18H2,1-2H3/q+1/t26-,28-/m0/s1 | Definition date: | 2017-07-17 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate |
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![7Q7 7Q7](https://data.pdbj.org/pdbjplus/data/cc/svg/7Q7.svg) | 7Q7 | Name: | 2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine | Formula: | C23 H20 N4 O3 | SMILES: | COc1c(c(OC)cc(c1)c2nccc3c2nc(n3)c4cccc5c4ccn5)OC | InChi: | InChI=1S/C23H20N4O3/c1-28-18-11-13(12-19(29-2)22(18)30-3)20-21-17(8-10-25-20)26-23(27-21)15-5-4-6-16-14(15)7-9-24-16/h4-12,24H,1-3H3,(H,26,27) | Definition date: | 2016-11-29 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine |
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![9YH 9YH](https://data.pdbj.org/pdbjplus/data/cc/svg/9YH.svg) | 9YH | Name: | 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid | Formula: | C22 H28 N2 O6 S | SMILES: | COc1cccc(CN(CCN(CC(O)=O)Cc2ccccc2SC)CC(O)=O)c1O | InChi: | InChI=1S/C22H28N2O6S/c1-30-18-8-5-7-17(22(18)29)13-24(15-21(27)28)11-10-23(14-20(25)26)12-16-6-3-4-9-19(16)31-2/h3-9,29H,10-15H2,1-2H3,(H,25,26)(H,27,28) | Definition date: | 2017-08-02 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid |
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![9YK 9YK](https://data.pdbj.org/pdbjplus/data/cc/svg/9YK.svg) | 9YK | Name: | 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid | Formula: | C21 H26 N2 O6 S | SMILES: | CSc1ccccc1CN(CCN(CC(O)=O)Cc2cccc(O)c2O)CC(O)=O | InChi: | InChI=1S/C21H26N2O6S/c1-30-18-8-3-2-5-15(18)11-22(13-19(25)26)9-10-23(14-20(27)28)12-16-6-4-7-17(24)21(16)29/h2-8,24,29H,9-14H2,1H3,(H,25,26)(H,27,28) | Definition date: | 2017-08-02 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid |
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![BGK BGK](https://data.pdbj.org/pdbjplus/data/cc/svg/BGK.svg) | BGK | Name: | 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde | Formula: | C13 H8 N2 O2 S | SMILES: | O=Cc1ccc(Oc2sc3cccnc3n2)cc1 | InChi: | InChI=1S/C13H8N2O2S/c16-8-9-3-5-10(6-4-9)17-13-15-12-11(18-13)2-1-7-14-12/h1-8H | Definition date: | 2017-10-04 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde |
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![BGW BGW](https://data.pdbj.org/pdbjplus/data/cc/svg/BGW.svg) | BGW | Name: | 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid | Formula: | C20 H20 N2 O3 S | SMILES: | OC(=O)C1CCN(CC1)Cc2ccc(Oc3sc4ccccc4n3)cc2 | InChi: | InChI=1S/C20H20N2O3S/c23-19(24)15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)25-20-21-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H,23,24) | Definition date: | 2017-10-04 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid |
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![BYB BYB](https://data.pdbj.org/pdbjplus/data/cc/svg/BYB.svg) | BYB | Name: | (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid | Formula: | C19 H18 F2 N6 O2 | SMILES: | OC(=O)[CH]1C2CCC(CC2)[CH]1Nc3nc(ncc3F)c4n[nH]c5ncc(F)cc45 | InChi: | InChI=1S/C19H18F2N6O2/c20-10-5-11-15(26-27-16(11)22-6-10)18-23-7-12(21)17(25-18)24-14-9-3-1-8(2-4-9)13(14)19(28)29/h5-9,13-14H,1-4H2,(H,28,29)(H,22,26,27)(H,23,24,25)/t8-,9+,13-,14-/m0/s1 | Definition date: | 2017-10-31 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid |
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![C7K C7K](https://data.pdbj.org/pdbjplus/data/cc/svg/C7K.svg) | C7K | Name: | 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid | Formula: | C18 H26 N4 O5 | SMILES: | OC(=O)CCCCCCCCCCCNc1ccc(c2nonc12)[N](=O)=O | InChi: | InChI=1S/C18H26N4O5/c23-16(24)10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15(22(25)26)18-17(14)20-27-21-18/h11-12,19H,1-10,13H2,(H,23,24) | Definition date: | 2017-11-16 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid |
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![BUW BUW](https://data.pdbj.org/pdbjplus/data/cc/svg/BUW.svg) | BUW | Name: | R-ethopropazine | Formula: | C19 H24 N2 S | SMILES: | CCN(CC)[CH](C)CN1c2ccccc2Sc3ccccc13 | InChi: | InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m1/s1 | Definition date: | 2017-10-14 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | (2~{R})-~{N},~{N}-diethyl-1-phenothiazin-10-yl-propan-2-amine |
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![BVE BVE](https://data.pdbj.org/pdbjplus/data/cc/svg/BVE.svg) | BVE | Name: | 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide | Formula: | C31 H27 N2 O2 S | SMILES: | N[S](=O)(=O)c1ccc(CC[n+]2c(cc(cc2c3ccccc3)c4ccccc4)c5ccccc5)cc1 | InChi: | InChI=1S/C31H27N2O2S/c32-36(34,35)29-18-16-24(17-19-29)20-21-33-30(26-12-6-2-7-13-26)22-28(25-10-4-1-5-11-25)23-31(33)27-14-8-3-9-15-27/h1-19,22-23H,20-21H2,(H2,32,34,35)/q+1 | Definition date: | 2017-10-16 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide |
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![CU8 CU8](https://data.pdbj.org/pdbjplus/data/cc/svg/CU8.svg) | CU8 | Name: | 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C14 H12 N4 O | SMILES: | Cc1cccc(c1)c2ccnc3n2ncc3C(N)=O | InChi: | InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19) | Definition date: | 2017-01-19 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![8PZ 8PZ](https://data.pdbj.org/pdbjplus/data/cc/svg/8PZ.svg) | 8PZ | Name: | [(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-phenyl-propanoyl]sulfamate | Formula: | C19 H23 N7 O7 S | SMILES: | N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4ccccc4 | InChi: | InChI=1S/C19H23N7O7S/c20-11(10-4-2-1-3-5-10)6-13(27)25-34(30,31)32-7-12-15(28)16(29)19(33-12)26-9-24-14-17(21)22-8-23-18(14)26/h1-5,8-9,11-12,15-16,19,28-29H,6-7,20H2,(H,25,27)(H2,21,22,23)/t11-,12+,15+,16+,19+/m0/s1 | Definition date: | 2017-02-22 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | 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-phenyl-propanoyl]sulfamate |
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![8Q2 8Q2](https://data.pdbj.org/pdbjplus/data/cc/svg/8Q2.svg) | 8Q2 | Name: | [(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-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate | Formula: | C22 H25 N7 O8 S | SMILES: | N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4ccc(OCC#C)cc4 | InChi: | InChI=1S/C22H25N7O8S/c1-2-7-35-13-5-3-12(4-6-13)14(23)8-16(30)28-38(33,34)36-9-15-18(31)19(32)22(37-15)29-11-27-17-20(24)25-10-26-21(17)29/h1,3-6,10-11,14-15,18-19,22,31-32H,7-9,23H2,(H,28,30)(H2,24,25,26)/t14-,15+,18+,19+,22+/m0/s1 | Definition date: | 2017-02-22 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | 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-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate |
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![8UZ 8UZ](https://data.pdbj.org/pdbjplus/data/cc/svg/8UZ.svg) | 8UZ | Name: | TC007 | Formula: | C18 H37 N5 O10 | SMILES: | NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH](N)[CH](O)[CH]1O | InChi: | InChI=1S/C18H37N5O10/c19-2-6-12(27)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)8(22)11(26)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1 | Definition date: | 2017-03-09 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | (2~{R},3~{S},4~{R},5~{R},6~{R})-2-(aminomethyl)-5-azanyl-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]oxy-oxane-3,4-diol |
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![AJJ AJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/AJJ.svg) | AJJ | Name: | 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol | Formula: | C14 H17 N3 O2 | SMILES: | C1CN(C)CCC1c2noc(n2)c3ccc(cc3)O | InChi: | InChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3 | Definition date: | 2017-07-18 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol |
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