![U6K U6K](https://data.pdbj.org/pdbjplus/data/cc/svg/U6K.svg) | U6K | Name: | (2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol | Formula: | C20 H23 N5 O4 | SMILES: | N[CH]1N=CN[CH]2[CH]1C=CN2[CH]3O[CH](COc4ccc5cccnc5c4)[CH](O)[CH]3O | InChi: | InChI=1S/C20H23N5O4/c21-18-13-5-7-25(19(13)24-10-23-18)20-17(27)16(26)15(29-20)9-28-12-4-3-11-2-1-6-22-14(11)8-12/h1-8,10,13,15-20,26-27H,9,21H2,(H,23,24)/t13-,15+,16+,17+,18+,19-,20+/m0/s1 | Definition date: | 2021-01-25 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol |
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![U7T U7T](https://data.pdbj.org/pdbjplus/data/cc/svg/U7T.svg) | U7T | Name: | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite | Formula: | C12 H14 N5 O6 P | SMILES: | O[CH]1C[CH](O[CH]1COP(O)O)N2C(=O)Nc3c4nccn4cnc23 | InChi: | InChI=1S/C12H14N5O6P/c18-6-3-8(23-7(6)4-22-24(20)21)17-11-9(15-12(17)19)10-13-1-2-16(10)5-14-11/h1-2,5-8,18,20-21H,3-4H2,(H,15,19)/t6-,7+,8+/m0/s1 | Synonyms: | 7,8-dihydro-8-oxo-1,N6-ethenoadenine | Definition date: | 2021-01-28 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite |
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![CN9 CN9](https://data.pdbj.org/pdbjplus/data/cc/svg/CN9.svg) | CN9 | Name: | 1-methyl-9H-pyrido[3,4-b]indole | Formula: | C12 H10 N2 | SMILES: | Cc1nccc2c3ccccc3[NH]c21 | InChi: | InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3 | Synonyms: | harmane | Definition date: | 2021-11-22 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | 1-methyl-9H-pyrido[3,4-b]indole |
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![6JI 6JI](https://data.pdbj.org/pdbjplus/data/cc/svg/6JI.svg) | 6JI | Name: | 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one | Formula: | C24 H32 O4 | SMILES: | C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH](C[CH]5O[C]345)C6=COC(=O)C=C6 | InChi: | InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1 | Synonyms: | Resibufogenin | Definition date: | 2022-02-15 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 |
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![UGW UGW](https://data.pdbj.org/pdbjplus/data/cc/svg/UGW.svg) | UGW | Name: | 2,4-di~{tert}-butylphenol | Formula: | C14 H22 O | SMILES: | CC(C)(C)c1ccc(O)c(c1)C(C)(C)C | InChi: | InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3 | Definition date: | 2021-02-22 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | 2,4-di~{tert}-butylphenol |
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![V75 V75](https://data.pdbj.org/pdbjplus/data/cc/svg/V75.svg) | V75 | Name: | (2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid | Formula: | C10 H14 O8 | SMILES: | CC(=O)O[CH]1CO[CH]([CH](O)[CH]1OC(C)=O)C(O)=O | InChi: | InChI=1S/C10H14O8/c1-4(11)17-6-3-16-9(10(14)15)7(13)8(6)18-5(2)12/h6-9,13H,3H2,1-2H3,(H,14,15)/t6-,7-,8+,9-/m0/s1 | Definition date: | 2021-04-21 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | (2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid |
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![V7B V7B](https://data.pdbj.org/pdbjplus/data/cc/svg/V7B.svg) | V7B | Name: | [(2~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate | Formula: | C43 H80 O15 | SMILES: | CC(C)CCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCC(C)C | InChi: | InChI=1S/C43H80O15/c1-29(2)21-17-13-9-5-7-11-15-19-23-34(46)53-27-31(55-35(47)24-20-16-12-8-6-10-14-18-22-30(3)4)28-54-42-40(52)38(50)41(33(26-45)57-42)58-43-39(51)37(49)36(48)32(25-44)56-43/h29-33,36-45,48-52H,5-28H2,1-4H3/t31-,32-,33-,36-,37+,38-,39-,40-,41-,42-,43-/m1/s1 | Definition date: | 2021-04-21 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | [(2~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate |
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![V7N V7N](https://data.pdbj.org/pdbjplus/data/cc/svg/V7N.svg) | V7N | Name: | (2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid | Formula: | C41 H54 O4 | SMILES: | COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C=CC=C(C)C(O)=O | InChi: | InChI=1S/C41H54O4/c1-33(20-12-21-35(3)22-13-23-36(4)24-14-28-38(6)40(43)44)18-10-11-19-34(2)25-15-29-39(32-42)30-16-26-37(5)27-17-31-41(7,8)45-9/h10-12,14-21,23-30,32H,13,22,31H2,1-9H3,(H,43,44)/b11-10+,20-12+,24-14+,25-15+,27-17+,30-16+,33-18+,34-19+,35-21+,36-23+,37-26+,38-28+,39-29- | Definition date: | 2021-04-23 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | (2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid |
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![E00 E00](https://data.pdbj.org/pdbjplus/data/cc/svg/E00.svg) | E00 | Name: | benzyltrimethylammonium | Formula: | C10 H16 N | SMILES: | C[N+](C)(C)Cc1ccccc1 | InChi: | InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1 | Definition date: | 2021-12-01 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | N,N,N-trimethyl(phenyl)methanaminium |
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![VQA VQA](https://data.pdbj.org/pdbjplus/data/cc/svg/VQA.svg) | VQA | Name: | 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid | Formula: | C32 H40 O3 | SMILES: | c4ccc(C(=C)/C31C(CC(CCCCCCCCCC(O)=O)=C1c2ccccc2)C(O)CC3)cc4 | InChi: | InChI=1S/C32H40O3/c1-24(25-15-10-7-11-16-25)32-22-21-29(33)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30(34)35/h7-8,10-13,15-18,28-29,33H,1-6,9,14,19-23H2,(H,34,35)/t28-,29+,32-/m0/s1 | Definition date: | 2020-09-08 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid |
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![VQY VQY](https://data.pdbj.org/pdbjplus/data/cc/svg/VQY.svg) | VQY | Name: | 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate | Formula: | C36 H53 N O5 P | SMILES: | c4ccc(C(/C31C(CC(=C1c2ccccc2)CCCCCCCCCOP(OCC[N+](C)(C)C)(=O)O)C(O)CC3)=C)cc4 | InChi: | InChI=1S/C36H52NO5P/c1-29(30-18-13-10-14-19-30)36-24-23-34(38)33(36)28-32(35(36)31-20-15-11-16-21-31)22-12-8-6-5-7-9-17-26-41-43(39,40)42-27-25-37(2,3)4/h10-11,13-16,18-21,33-34,38H,1,5-9,12,17,22-28H2,2-4H3/p+1/t33-,34+,36-/m0/s1 | Definition date: | 2020-09-09 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | 2-{[(S)-hydroxy({9-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]nonyl}oxy)phosphoryl]oxy}-N,N,N-trimethylethan-1-aminium |
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![UYH UYH](https://data.pdbj.org/pdbjplus/data/cc/svg/UYH.svg) | UYH | Name: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate | Formula: | C45 H86 O10 | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C45H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51H,3-37H2,1-2H3/t38-,39-,42-,43+,44-,45-/m1/s1 | Definition date: | 2021-03-29 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate |
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![IRK IRK](https://data.pdbj.org/pdbjplus/data/cc/svg/IRK.svg) | IRK | Name: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid | Formula: | C21 H37 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20+/m0/s1 | Definition date: | 2022-01-27 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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![IUB IUB](https://data.pdbj.org/pdbjplus/data/cc/svg/IUB.svg) | IUB | Name: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid | Formula: | C21 H37 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20-/m0/s1 | Definition date: | 2022-01-28 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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![LPG LPG](https://data.pdbj.org/pdbjplus/data/cc/svg/LPG.svg) | LPG | Name: | (2S)-2-aminobut-3-ynoic acid | Formula: | C4 H5 N O2 | SMILES: | C#CC(N)C(=O)O | InChi: | InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1 | Synonyms: | 2-AMINO-BUT-3-YNOIC ACID | Definition date: | 2001-02-13 | Last modified: | 2022-02-22 | Identifier: | (2S)-2-aminobut-3-ynoic acid |
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![YFA YFA](https://data.pdbj.org/pdbjplus/data/cc/svg/YFA.svg) | YFA | Name: | (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide | Formula: | C31 H28 F N5 O2 S | SMILES: | C(C(N4C(c3c(c(c2ccc(C1CCN(C)CC1)cc2)ccc3N=C4)F)=O)c5ccccc5)(Nc6nccs6)=O | InChi: | InChI=1S/C31H28FN5O2S/c1-36-16-13-21(14-17-36)20-7-9-22(10-8-20)24-11-12-25-26(27(24)32)30(39)37(19-34-25)28(23-5-3-2-4-6-23)29(38)35-31-33-15-18-40-31/h2-12,15,18-19,21,28H,13-14,16-17H2,1H3,(H,33,35,38)/t28-/m1/s1 | Definition date: | 2021-02-24 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide |
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![XRF XRF](https://data.pdbj.org/pdbjplus/data/cc/svg/XRF.svg) | XRF | Name: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione | Formula: | C10 H17 N2 O14 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=O | InChi: | InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1 | Definition date: | 2021-03-09 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione |
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![YAV YAV](https://data.pdbj.org/pdbjplus/data/cc/svg/YAV.svg) | YAV | Name: | 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid | Formula: | C46 H40 N2 O10 | SMILES: | Cc1ccc2oc(C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5oc6ccc(C)cc6c5CC(O)=O)c(CC(O)=O)c2c1 | InChi: | InChI=1S/C46H40N2O10/c1-29-9-13-39-35(23-29)37(27-43(49)50)41(57-39)15-11-31-5-3-7-33(25-31)45(53)47-17-19-55-21-22-56-20-18-48-46(54)34-8-4-6-32(26-34)12-16-42-38(28-44(51)52)36-24-30(2)10-14-40(36)58-42/h3-10,13-14,23-26H,17-22,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52) | Definition date: | 2021-02-15 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid |
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![XU7 XU7](https://data.pdbj.org/pdbjplus/data/cc/svg/XU7.svg) | XU7 | Name: | (2S)-2-amino-4-boronobutanoic acid | Formula: | C4 H10 B N O4 | SMILES: | B(O)(CCC(C(O)=O)N)O | InChi: | InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m0/s1 | Definition date: | 2021-01-13 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (2S)-2-amino-4-boronobutanoic acid |
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![XUJ XUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XUJ.svg) | XUJ | Name: | (2R)-2-amino-4-boronobutanoic acid | Formula: | C4 H10 B N O4 | SMILES: | B(O)(CCC(C(O)=O)N)O | InChi: | InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m1/s1 | Definition date: | 2021-01-13 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (2R)-2-amino-4-boronobutanoic acid |
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![5OI 5OI](https://data.pdbj.org/pdbjplus/data/cc/svg/5OI.svg) | 5OI | Name: | (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine | Formula: | C18 H22 N4 O | SMILES: | CC(C)CC(N)c1nc(CC)c2cc(ccc2n1)c1cnco1 | InChi: | InChI=1S/C18H22N4O/c1-4-15-13-8-12(17-9-20-10-23-17)5-6-16(13)22-18(21-15)14(19)7-11(2)3/h5-6,8-11,14H,4,7,19H2,1-3H3/t14-/m0/s1 | Definition date: | 2021-07-21 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine |
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![5P6 5P6](https://data.pdbj.org/pdbjplus/data/cc/svg/5P6.svg) | 5P6 | Name: | 2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile | Formula: | C20 H20 N4 | SMILES: | CC(C)CC(N)c1cc(C#N)c2cc(ccc2n1)c1ccncc1 | InChi: | InChI=1S/C20H20N4/c1-13(2)9-18(22)20-11-16(12-21)17-10-15(3-4-19(17)24-20)14-5-7-23-8-6-14/h3-8,10-11,13,18H,9,22H2,1-2H3/t18-/m0/s1 | Definition date: | 2021-07-21 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile |
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![5QI 5QI](https://data.pdbj.org/pdbjplus/data/cc/svg/5QI.svg) | 5QI | Name: | N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide | Formula: | C16 H19 F2 N3 O3 | SMILES: | CC(C)CC(N)C(=O)Nc1cc(OC(F)F)c(cc1)c1cnco1 | InChi: | InChI=1S/C16H19F2N3O3/c1-9(2)5-12(19)15(22)21-10-3-4-11(14-7-20-8-23-14)13(6-10)24-16(17)18/h3-4,6-9,12,16H,5,19H2,1-2H3,(H,21,22)/t12-/m1/s1 | Definition date: | 2021-07-21 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide |
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![GF6 GF6](https://data.pdbj.org/pdbjplus/data/cc/svg/GF6.svg) | GF6 | Name: | 1-[3-(trifluoromethyl)phenyl]urea | Formula: | C8 H7 F3 N2 O | SMILES: | NC(=O)Nc1cccc(c1)C(F)(F)F | InChi: | InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14) | Definition date: | 2020-08-26 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 1-[3-(trifluoromethyl)phenyl]urea |
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![0QQ 0QQ](https://data.pdbj.org/pdbjplus/data/cc/svg/0QQ.svg) | 0QQ | Name: | N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | Formula: | C20 H20 F2 N4 O3 S | SMILES: | C[CH]1SC(=N[C](C)([CH]1F)c2cc(NC(=O)c3cc4OCCOc4cn3)ccc2F)N | InChi: | InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1 | Definition date: | 2021-06-11 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | ~{N}-[3-[(4~{R},5~{R},6~{R})-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide |
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