![SWK SWK](https://data.pdbj.org/pdbjplus/data/cc/svg/SWK.svg) | SWK | Name: | 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine | Formula: | C22 H22 F N5 | SMILES: | Fc1ccccc1Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5 | InChi: | InChI=1S/C22H22FN5/c23-21-4-2-1-3-15(21)9-17-12-26-22-20(17)10-16(11-25-22)18-13-27-28(14-18)19-5-7-24-8-6-19/h1-4,10-14,19,24H,5-9H2,(H,25,26) | Definition date: | 2020-12-02 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
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![QWW QWW](https://data.pdbj.org/pdbjplus/data/cc/svg/QWW.svg) | QWW | Name: | 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine | Formula: | C5 H Br3 N4 | SMILES: | Brc1nc2nn[nH]c2c(Br)c1Br | InChi: | InChI=1S/C5HBr3N4/c6-1-2(7)4(8)9-5-3(1)10-12-11-5/h(H,9,10,11,12) | Definition date: | 2020-08-17 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine |
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![QX2 QX2](https://data.pdbj.org/pdbjplus/data/cc/svg/QX2.svg) | QX2 | Name: | 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine | Formula: | C6 H2 Br3 N3 | SMILES: | Brc1nc2nc[nH]c2c(Br)c1Br | InChi: | InChI=1S/C6H2Br3N3/c7-2-3(8)5(9)12-6-4(2)10-1-11-6/h1H,(H,10,11,12) | Definition date: | 2020-08-18 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine |
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![SJG SJG](https://data.pdbj.org/pdbjplus/data/cc/svg/SJG.svg) | SJG | Name: | ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | Formula: | C28 H30 N6 O3 | SMILES: | CCOC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12 | InChi: | InChI=1S/C28H30N6O3/c1-3-36-28(35)34-23-10-4-8-21-20(23)12-11-18(2)25(21)37-26-22(9-6-15-30-26)24-13-16-31-27(33-24)32-19-7-5-14-29-17-19/h4,6,8-13,15-16,19,29H,3,5,7,14,17H2,1-2H3,(H,34,35)(H,31,32,33)/t19-/m0/s1 | Definition date: | 2020-03-10 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate |
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![SJK SJK](https://data.pdbj.org/pdbjplus/data/cc/svg/SJK.svg) | SJK | Name: | 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide | Formula: | C9 H11 N3 O2 S2 | SMILES: | SCCNC(=O)C1=CN=C2SCCN2C1=O | InChi: | InChI=1S/C9H11N3O2S2/c13-7(10-1-3-15)6-5-11-9-12(8(6)14)2-4-16-9/h5,15H,1-4H2,(H,10,13) | Definition date: | 2020-11-17 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
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![SJM SJM](https://data.pdbj.org/pdbjplus/data/cc/svg/SJM.svg) | SJM | Name: | ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide | Formula: | C29 H28 N6 O2 | SMILES: | CC#CC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12 | InChi: | InChI=1S/C29H28N6O2/c1-3-7-26(36)34-24-11-4-9-22-21(24)13-12-19(2)27(22)37-28-23(10-6-16-31-28)25-14-17-32-29(35-25)33-20-8-5-15-30-18-20/h4,6,9-14,16-17,20,30H,5,8,15,18H2,1-2H3,(H,34,36)(H,32,33,35)/t20-/m0/s1 | Definition date: | 2020-03-10 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide |
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![SJQ SJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/SJQ.svg) | SJQ | Name: | 4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{H}-pyridazin-6-one | Formula: | C15 H19 Cl F2 N4 O2 | SMILES: | FC1(F)CCC(CC1)CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3 | InChi: | InChI=1S/C15H19ClF2N4O2/c16-13-11(7-19-20-14(13)24)21-5-6-22(12(23)9-21)8-10-1-3-15(17,18)4-2-10/h7,10H,1-6,8-9H2,(H,20,24) | Definition date: | 2020-11-18 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{H}-pyridazin-6-one |
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![SJS SJS](https://data.pdbj.org/pdbjplus/data/cc/svg/SJS.svg) | SJS | Name: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one | Formula: | C21 H18 F2 N6 O2 | SMILES: | OC1CCN(CC1)C2=NC(=CC(=O)N2)c3[nH]nc4ncc(cc34)c5c(F)cccc5F | InChi: | InChI=1S/C21H18F2N6O2/c22-14-2-1-3-15(23)18(14)11-8-13-19(27-28-20(13)24-10-11)16-9-17(31)26-21(25-16)29-6-4-12(30)5-7-29/h1-3,8-10,12,30H,4-7H2,(H,24,27,28)(H,25,26,31) | Definition date: | 2020-03-10 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one |
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![SJV SJV](https://data.pdbj.org/pdbjplus/data/cc/svg/SJV.svg) | SJV | Name: | methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | Formula: | C27 H28 N6 O3 | SMILES: | COC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12 | InChi: | InChI=1S/C27H28N6O3/c1-17-10-11-19-20(7-3-9-22(19)33-27(34)35-2)24(17)36-25-21(8-5-14-29-25)23-12-15-30-26(32-23)31-18-6-4-13-28-16-18/h3,5,7-12,14-15,18,28H,4,6,13,16H2,1-2H3,(H,33,34)(H,30,31,32)/t18-/m0/s1 | Definition date: | 2020-03-10 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate |
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![VUG VUG](https://data.pdbj.org/pdbjplus/data/cc/svg/VUG.svg) | VUG | Name: | 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine | Formula: | C22 H29 N3 | SMILES: | c4cc(N1CCN(CC1)C3CCC(c2cccc(C)c2)CC3)cnc4 | InChi: | InChI=1S/C22H29N3/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3/t19-,21+ | Definition date: | 2020-09-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine |
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![VUJ VUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VUJ.svg) | VUJ | Name: | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one | Formula: | C23 H29 N3 O | SMILES: | C3N(CCN(C1C=CC(CC1)c2cc(C)ccc2)C3)CC=4C=CC(NC=4)=O | InChi: | InChI=1S/C23H29N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-6,8,10,15-16,20,22H,7,9,11-14,17H2,1H3,(H,24,27)/t20-,22+/m0/s1 | Definition date: | 2020-09-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one |
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![VUM VUM](https://data.pdbj.org/pdbjplus/data/cc/svg/VUM.svg) | VUM | Name: | 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one | Formula: | C23 H28 F3 N3 O2 | SMILES: | C1(C=CC(=CN1)CN2CCN(CC2)C4CCC(O)(c3cc(ccc3)C(F)(F)F)CC4)=O | InChi: | InChI=1S/C23H28F3N3O2/c24-23(25,26)19-3-1-2-18(14-19)22(31)8-6-20(7-9-22)29-12-10-28(11-13-29)16-17-4-5-21(30)27-15-17/h1-5,14-15,20,31H,6-13,16H2,(H,27,30)/t20-,22- | Definition date: | 2020-09-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one |
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![SKQ SKQ](https://data.pdbj.org/pdbjplus/data/cc/svg/SKQ.svg) | SKQ | Name: | 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one | Formula: | C14 H19 Cl N4 O2 | SMILES: | ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2 | InChi: | InChI=1S/C14H19ClN4O2/c15-13-11(8-16-17-14(13)21)18-6-7-19(12(20)9-18)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,17,21) | Synonyms: | GFB-9289 | Definition date: | 2020-11-24 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one |
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![VGY VGY](https://data.pdbj.org/pdbjplus/data/cc/svg/VGY.svg) | VGY | Name: | 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol | Formula: | C24 H22 Cl F N4 O | SMILES: | n1c(C(C)(C)O)ncc(c1)c3cc4c(NC(C)c2c(cccc2)F)c(Cl)cnc4cc3 | InChi: | InChI=1S/C24H22ClFN4O/c1-14(17-6-4-5-7-20(17)26)30-22-18-10-15(8-9-21(18)27-13-19(22)25)16-11-28-23(29-12-16)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1 | Definition date: | 2020-08-12 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol |
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![WCS WCS](https://data.pdbj.org/pdbjplus/data/cc/svg/WCS.svg) | WCS | Name: | 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine | Formula: | C22 H30 N6 O3 S | SMILES: | c1(ccc(cc1)OCCCN(C)C)c2nc(S(C)(=O)=O)nc(c2)NCCCn3cccn3 | InChi: | InChI=1S/C22H30N6O3S/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26) | Definition date: | 2020-10-14 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine |
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![WCV WCV](https://data.pdbj.org/pdbjplus/data/cc/svg/WCV.svg) | WCV | Name: | cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone | Formula: | C20 H21 N5 O | SMILES: | c1nc(NCC#C)nc(c1)Nc2cc3c(cc2)CCCN3C(C4CC4)=O | InChi: | InChI=1S/C20H21N5O/c1-2-10-21-20-22-11-9-18(24-20)23-16-8-7-14-4-3-12-25(17(14)13-16)19(26)15-5-6-15/h1,7-9,11,13,15H,3-6,10,12H2,(H2,21,22,23,24) | Definition date: | 2020-10-14 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone |
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![OM4 OM4](https://data.pdbj.org/pdbjplus/data/cc/svg/OM4.svg) | OM4 | Name: | 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene | Formula: | C13 H9 Cl3 O | SMILES: | COc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2 | InChi: | InChI=1S/C13H9Cl3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3 | Definition date: | 2016-09-26 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene |
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![OMF OMF](https://data.pdbj.org/pdbjplus/data/cc/svg/OMF.svg) | OMF | Name: | 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene | Formula: | C13 H8 Cl4 O | SMILES: | COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2 | InChi: | InChI=1S/C13H8Cl4O/c1-18-12-3-2-7(4-9(12)14)8-5-10(15)13(17)11(16)6-8/h2-6H,1H3 | Definition date: | 2016-09-26 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene |
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![81F 81F](https://data.pdbj.org/pdbjplus/data/cc/svg/81F.svg) | 81F | Name: | 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine | Formula: | C22 H28 Br N3 | SMILES: | Cc1cccc(c1)C4CCC(N2CCN(CC2)c3cc(cnc3)Br)CC4 | InChi: | InChI=1S/C22H28BrN3/c1-17-3-2-4-19(13-17)18-5-7-21(8-6-18)25-9-11-26(12-10-25)22-14-20(23)15-24-16-22/h2-4,13-16,18,21H,5-12H2,1H3/t18-,21+ | Definition date: | 2020-09-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine |
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![P5E P5E](https://data.pdbj.org/pdbjplus/data/cc/svg/P5E.svg) | P5E | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C9 H15 N2 O14 P3 S | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O | InChi: | InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-28(21,29)25-27(19,20)24-26(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,29)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-,28+/m1/s1 | Definition date: | 2020-04-15 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate |
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![P72 P72](https://data.pdbj.org/pdbjplus/data/cc/svg/P72.svg) | P72 | Name: | 4-oxidanylbenzenecarboximidamide | Formula: | C7 H8 N2 O | SMILES: | NC(=N)c1ccc(O)cc1 | InChi: | InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9) | Definition date: | 2020-04-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 4-oxidanylbenzenecarboximidamide |
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![5GK 5GK](https://data.pdbj.org/pdbjplus/data/cc/svg/5GK.svg) | 5GK | Name: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one | Formula: | C23 H28 F3 N3 O | SMILES: | C1(NC=C(C=C1)CN4CCN(C3CCC(c2cc(ccc2)C(F)(F)F)CC3)CC4)=O | InChi: | InChI=1S/C23H28F3N3O/c24-23(25,26)20-3-1-2-19(14-20)18-5-7-21(8-6-18)29-12-10-28(11-13-29)16-17-4-9-22(30)27-15-17/h1-4,9,14-15,18,21H,5-8,10-13,16H2,(H,27,30)/t18-,21+ | Definition date: | 2020-09-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one |
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![Q1V Q1V](https://data.pdbj.org/pdbjplus/data/cc/svg/Q1V.svg) | Q1V | Name: | 2-amino-3-[(R)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(S)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium | Formula: | C21 H26 N13 O12 P2 | SMILES: | OP([n+]4c(n(P(O)(OC1COC(C1O)n2c3c(nc2)C(NC(N)=N3)=O)=O)cc4)N)(OC5C(C(OC5)n7c6N=C(N)NC(=O)c6nc7)O)=O | InChi: | InChI=1S/C21H25N13O12P2/c22-19-27-13-9(15(37)29-19)25-5-31(13)17-11(35)7(3-43-17)45-47(39,40)33-1-2-34(21(33)24)48(41,42)46-8-4-44-18(12(8)36)32-6-26-10-14(32)28-20(23)30-16(10)38/h1-2,5-8,11-12,17-18,24,35-36H,3-4H2,(H8,22,23,27,28,29,30,37,38,39,40,41,42)/p+1/t7-,8-,11+,12+,17+,18+/m0/s1 | Definition date: | 2019-09-06 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 2-amino-3-[(R)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(S)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium |
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![FGX FGX](https://data.pdbj.org/pdbjplus/data/cc/svg/FGX.svg) | FGX | Name: | [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium | Formula: | C28 H31 B N5 O9 P S | SMILES: | CC(=O)CSc1ccc(cc1)[CH](O)c2ccc3CC[B-]4(O[CH]5[CH](CO[P+](O)(O)O)O[CH]([CH]5O4)n6cnc7c(N)ncnc67)c3c2 | InChi: | InChI=1S/C28H31BN5O9PS/c1-15(35)12-45-19-6-4-17(5-7-19)23(36)18-3-2-16-8-9-29(20(16)10-18)42-24-21(11-40-44(37,38)39)41-28(25(24)43-29)34-14-33-22-26(30)31-13-32-27(22)34/h2-7,10,13-14,21,23-25,28,36-39H,8-9,11-12H2,1H3,(H2,30,31,32)/t21-,23+,24-,25+,28+,29+/m0/s1 | Definition date: | 2020-05-12 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium |
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![EC0 EC0](https://data.pdbj.org/pdbjplus/data/cc/svg/EC0.svg) | EC0 | Name: | 7-chloranyl-5-nitro-quinolin-8-ol | Formula: | C9 H5 Cl N2 O3 | SMILES: | Oc1c(Cl)cc(c2cccnc12)[N+]([O-])=O | InChi: | InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H | Definition date: | 2019-12-10 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 7-chloranyl-5-nitro-quinolin-8-ol |
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