![7GD 7GD](https://data.pdbj.org/pdbjplus/data/cc/svg/7GD.svg) | 7GD | Name: | 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C12 H11 N5 | SMILES: | c1c(cccc1)Cc2cc(nc3c2nnn3)N | InChi: | InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17) | Definition date: | 2016-10-19 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![LTV LTV](https://data.pdbj.org/pdbjplus/data/cc/svg/LTV.svg) | LTV | Name: | 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate | Formula: | C46 H90 O5 | SMILES: | O=C(OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C46H90O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h44,47H,3-43H2,1-2H3/t44-/m0/s1 | Definition date: | 2019-03-13 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate |
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![LZW LZW](https://data.pdbj.org/pdbjplus/data/cc/svg/LZW.svg) | LZW | Name: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide | Formula: | C18 H18 N2 O3 S | SMILES: | N[S](=O)(=O)c1ccc2N[CH](C3=C(CCC3)c2c1)c4ccc(O)cc4 | InChi: | InChI=1S/C18H18N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,18,20-21H,1-3H2,(H2,19,22,23)/t18-/m0/s1 | Definition date: | 2019-10-01 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide |
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![M65 M65](https://data.pdbj.org/pdbjplus/data/cc/svg/M65.svg) | M65 | Name: | ethyl 7-imidazol-1-ylheptanoate | Formula: | C12 H20 N2 O2 | SMILES: | CCOC(=O)CCCCCCn1ccnc1 | InChi: | InChI=1S/C12H20N2O2/c1-2-16-12(15)7-5-3-4-6-9-14-10-8-13-11-14/h8,10-11H,2-7,9H2,1H3 | Definition date: | 2019-10-03 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | ethyl 7-imidazol-1-ylheptanoate |
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![F56 F56](https://data.pdbj.org/pdbjplus/data/cc/svg/F56.svg) | F56 | Name: | 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one | Formula: | C15 H21 N O3 | SMILES: | CC=CC[CH](C)C[CH](C)C(=O)C1=C(O)C=CNC1=O | InChi: | InChI=1S/C15H21NO3/c1-4-5-6-10(2)9-11(3)14(18)13-12(17)7-8-16-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,17,19)/b5-4+/t10-,11-/m0/s1 | Definition date: | 2020-03-31 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 3-[(~{E},2~{S},4~{S})-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1~{H}-pyridin-2-one |
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![F5F F5F](https://data.pdbj.org/pdbjplus/data/cc/svg/F5F.svg) | F5F | Name: | 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one | Formula: | C15 H21 N O2 | SMILES: | C[CH]1C[CH](C)[CH]([CH](C1)C=C)C2=C(O)C=CNC2=O | InChi: | InChI=1S/C15H21NO2/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16-15(14)18/h4-6,9-11,13H,1,7-8H2,2-3H3,(H2,16,17,18)/t9-,10+,11-,13-/m1/s1 | Definition date: | 2020-03-31 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 3-[(1~{R},2~{S},4~{R},6~{S})-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1~{H}-pyridin-2-one |
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![OHZ OHZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OHZ.svg) | OHZ | Name: | 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea | Formula: | C16 H14 Cl F3 N2 O3 | SMILES: | OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2 | InChi: | InChI=1S/C16H14ClF3N2O3/c17-11-7-12(9-13(8-11)25-16(18,19)20)21-15(24)22-14-4-2-1-3-10(14)5-6-23/h1-4,7-9,23H,5-6H2,(H2,21,22,24) | Synonyms: | 1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea | Definition date: | 2020-03-13 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea |
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![Q9M Q9M](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9M.svg) | Q9M | Name: | 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide | Formula: | C23 H21 N7 O3 S2 | SMILES: | C3(CN(c2sc(NC(Cc1ccccc1)=O)nn2)C3)Oc5nnc(NC(=O)Cc4ccccc4)s5 | InChi: | InChI=1S/C23H21N7O3S2/c31-18(11-15-7-3-1-4-8-15)24-20-26-28-22(34-20)30-13-17(14-30)33-23-29-27-21(35-23)25-19(32)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,24,26,31)(H,25,27,32) | Definition date: | 2019-10-08 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide |
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![QA4 QA4](https://data.pdbj.org/pdbjplus/data/cc/svg/QA4.svg) | QA4 | Name: | 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | Formula: | C19 H25 N7 O3 S2 | SMILES: | N(C(CC1CC1)=O)c5nnc(OC4CCN(c2sc(nn2)NC(CC3CC3)=O)CC4)s5 | InChi: | InChI=1S/C19H25N7O3S2/c27-14(9-11-1-2-11)20-16-22-24-18(30-16)26-7-5-13(6-8-26)29-19-25-23-17(31-19)21-15(28)10-12-3-4-12/h11-13H,1-10H2,(H,20,22,27)(H,21,23,28) | Definition date: | 2019-10-09 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide |
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![QAA QAA](https://data.pdbj.org/pdbjplus/data/cc/svg/QAA.svg) | QAA | Name: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide | Formula: | C29 H29 N7 O3 | SMILES: | c1cc(nnc1NC(Cc2ccccc2)=O)OC5CCN(c3nnc(cc3)NC(=O)Cc4ccccc4)CC5 | InChi: | InChI=1S/C29H29N7O3/c37-27(19-21-7-3-1-4-8-21)30-24-11-13-26(34-32-24)36-17-15-23(16-18-36)39-29-14-12-25(33-35-29)31-28(38)20-22-9-5-2-6-10-22/h1-14,23H,15-20H2,(H,30,32,37)(H,31,33,38) | Definition date: | 2019-10-09 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide |
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![QAJ QAJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QAJ.svg) | QAJ | Name: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide | Formula: | C23 H24 N10 O2 S2 | SMILES: | N1(CCC(CC1)Nc3nnc(NC(Cc2cccnc2)=O)s3)c4sc(nn4)NC(=O)Cc5cccnc5 | InChi: | InChI=1S/C23H24N10O2S2/c34-18(11-15-3-1-7-24-13-15)27-21-30-29-20(36-21)26-17-5-9-33(10-6-17)23-32-31-22(37-23)28-19(35)12-16-4-2-8-25-14-16/h1-4,7-8,13-14,17H,5-6,9-12H2,(H,26,29)(H,27,30,34)(H,28,31,35) | Definition date: | 2019-10-10 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide |
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![QAM QAM](https://data.pdbj.org/pdbjplus/data/cc/svg/QAM.svg) | QAM | Name: | N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide | Formula: | C17 H19 N7 O2 S2 | SMILES: | N(c3sc(OC1CCN(CC1)c2sc(N)nn2)nn3)C(Cc4ccccc4)=O | InChi: | InChI=1S/C17H19N7O2S2/c18-14-20-22-16(27-14)24-8-6-12(7-9-24)26-17-23-21-15(28-17)19-13(25)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,18,20)(H,19,21,25) | Definition date: | 2019-10-10 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide |
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![NL8 NL8](https://data.pdbj.org/pdbjplus/data/cc/svg/NL8.svg) | NL8 | Name: | ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide | Formula: | C15 H14 N2 O4 | SMILES: | CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O | InChi: | InChI=1S/C15H14N2O4/c1-17(10-4-2-9(3-5-10)14(16)20)15(21)12-7-6-11(18)8-13(12)19/h2-8,18-19H,1H3,(H2,16,20) | Definition date: | 2019-12-06 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide |
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![NMW NMW](https://data.pdbj.org/pdbjplus/data/cc/svg/NMW.svg) | NMW | Name: | [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone | Formula: | C23 H22 N2 O5 | SMILES: | COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O | InChi: | InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m1/s1 | Definition date: | 2019-12-06 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone |
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![NN8 NN8](https://data.pdbj.org/pdbjplus/data/cc/svg/NN8.svg) | NN8 | Name: | [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone | Formula: | C23 H22 N2 O5 | SMILES: | COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O | InChi: | InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m0/s1 | Definition date: | 2019-12-06 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone |
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![MUE MUE](https://data.pdbj.org/pdbjplus/data/cc/svg/MUE.svg) | MUE | Name: | naphthalene-2-sulfonamide | Formula: | C10 H9 N O2 S | SMILES: | N[S](=O)(=O)c1ccc2ccccc2c1 | InChi: | InChI=1S/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13) | Definition date: | 2019-10-24 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | naphthalene-2-sulfonamide |
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![HL9 HL9](https://data.pdbj.org/pdbjplus/data/cc/svg/HL9.svg) | HL9 | Name: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide | Formula: | C20 H29 N5 O2 S | SMILES: | O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NC3CCN(CC3)c4ccncc4 | InChi: | InChI=1S/C20H29N5O2S/c26-18(4-2-1-3-17-19-16(13-28-17)23-20(27)24-19)22-14-7-11-25(12-8-14)15-5-9-21-10-6-15/h5-6,9-10,14,16-17,19H,1-4,7-8,11-13H2,(H,22,26)(H2,23,24,27)/t16-,17-,19-/m0/s1 | Definition date: | 2019-10-04 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide |
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![U27 U27](https://data.pdbj.org/pdbjplus/data/cc/svg/U27.svg) | U27 | Name: | 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | Formula: | C24 H23 N7 O3 S2 | SMILES: | C5C(Oc1sc(nn1)NC(Cc2ccccc2)=O)CN(c4nnc(NC(Cc3ccccc3)=O)s4)C5 | InChi: | InChI=1S/C24H23N7O3S2/c32-19(13-16-7-3-1-4-8-16)25-21-27-29-23(35-21)31-12-11-18(15-31)34-24-30-28-22(36-24)26-20(33)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,27,32)(H,26,28,33)/t18-/m1/s1 | Definition date: | 2019-10-10 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide |
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![UEY UEY](https://data.pdbj.org/pdbjplus/data/cc/svg/UEY.svg) | UEY | Name: | 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C19 H17 N5 | SMILES: | c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3)c4 | InChi: | InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1 | Definition date: | 2020-05-14 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![UF7 UF7](https://data.pdbj.org/pdbjplus/data/cc/svg/UF7.svg) | UF7 | Name: | 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C29 H28 N6 | SMILES: | C3C(c1ccccc1)c2ccccc2C3NCCC(c4ccccc4)c5cc(N)nc6c5nnn6 | InChi: | InChI=1S/C29H28N6/c30-27-18-25(28-29(32-27)34-35-33-28)21(19-9-3-1-4-10-19)15-16-31-26-17-24(20-11-5-2-6-12-20)22-13-7-8-14-23(22)26/h1-14,18,21,24,26,31H,15-17H2,(H3,30,32,33,34,35)/t21-,24+,26+/m1/s1 | Definition date: | 2020-05-14 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![UFA UFA](https://data.pdbj.org/pdbjplus/data/cc/svg/UFA.svg) | UFA | Name: | 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C26 H30 N6 | SMILES: | c1ccc(cc1)C(c3cc(nc2c3nnn2)N)CCNC4CCC(CC4)c5ccccc5 | InChi: | InChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19-,21-,22-/m1/s1 | Definition date: | 2020-05-14 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![UFD UFD](https://data.pdbj.org/pdbjplus/data/cc/svg/UFD.svg) | UFD | Name: | 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C28 H32 N6 | SMILES: | c1cccc(c1)C(c3cc(nc2nnnc23)N)CCNC64CCC(CC4)(c5ccccc5)CC6 | InChi: | InChI=1S/C28H32N6/c29-24-19-23(25-26(31-24)33-34-32-25)22(20-7-3-1-4-8-20)11-18-30-28-15-12-27(13-16-28,14-17-28)21-9-5-2-6-10-21/h1-10,19,22,30H,11-18H2,(H3,29,31,32,33,34)/t22-,27-,28+/m1/s1 | Definition date: | 2020-05-14 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![V9D V9D](https://data.pdbj.org/pdbjplus/data/cc/svg/V9D.svg) | V9D | Name: | N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide | Formula: | C8 H8 N2 O4 | SMILES: | C(=O)(NO)c1cccc(c1)C(NO)=O | InChi: | InChI=1S/C8H8N2O4/c11-7(9-13)5-2-1-3-6(4-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12) | Definition date: | 2020-07-20 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide |
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![VD8 VD8](https://data.pdbj.org/pdbjplus/data/cc/svg/VD8.svg) | VD8 | Name: | 3,5-di~{tert}-butylbenzenesulfonamide | Formula: | C14 H23 N O2 S | SMILES: | CC(C)(C)c1cc(cc(c1)[S](N)(=O)=O)C(C)(C)C | InChi: | InChI=1S/C14H23NO2S/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)18(15,16)17/h7-9H,1-6H3,(H2,15,16,17) | Definition date: | 2019-10-17 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 3,5-di~{tert}-butylbenzenesulfonamide |
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![GQU GQU](https://data.pdbj.org/pdbjplus/data/cc/svg/GQU.svg) | GQU | Name: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide | Formula: | C24 H29 F2 N3 O4 | SMILES: | Fc1cc(F)cc(CCC(=O)N2C[CH]3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1 | InChi: | InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22-/m0/s1 | Definition date: | 2020-09-23 | Last modified: | 2020-10-02 | Release date: | 2020-10-07 | Identifier: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
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