![VWD VWD](https://data.pdbj.org/pdbjplus/data/cc/svg/VWD.svg) | VWD | Name: | (1R)-2-(methylsulfonyl)-1-phenylethan-1-ol | Formula: | C9 H12 O3 S | SMILES: | c1(C(CS(C)(=O)=O)O)ccccc1 | InChi: | InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1 | Definition date: | 2020-09-17 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | (1R)-2-(methylsulfonyl)-1-phenylethan-1-ol |
|
![VWG VWG](https://data.pdbj.org/pdbjplus/data/cc/svg/VWG.svg) | VWG | Name: | N-hydroxyquinoline-2-carboxamide | Formula: | C10 H8 N2 O2 | SMILES: | N(O)C(=O)c1ccc2c(n1)cccc2 | InChi: | InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13) | Definition date: | 2020-09-17 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | N-hydroxyquinoline-2-carboxamide |
|
![VWJ VWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VWJ.svg) | VWJ | Name: | N-(propan-2-yl)-1H-benzimidazol-2-amine | Formula: | C10 H13 N3 | SMILES: | N(c1nc2c(n1)cccc2)C(C)C | InChi: | InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13) | Definition date: | 2020-09-17 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | N-(propan-2-yl)-1H-benzimidazol-2-amine |
|
![VWM VWM](https://data.pdbj.org/pdbjplus/data/cc/svg/VWM.svg) | VWM | Name: | (3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid | Formula: | C8 H13 N O4 | SMILES: | N1(CCCC(O)(C1)C(=O)O)C(C)=O | InChi: | InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m1/s1 | Definition date: | 2020-09-17 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | (3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid |
|
![VWY VWY](https://data.pdbj.org/pdbjplus/data/cc/svg/VWY.svg) | VWY | Name: | N-ethyl-4-[(methylsulfonyl)amino]benzamide | Formula: | C10 H14 N2 O3 S | SMILES: | N(CC)C(c1ccc(cc1)NS(C)(=O)=O)=O | InChi: | InChI=1S/C10H14N2O3S/c1-3-11-10(13)8-4-6-9(7-5-8)12-16(2,14)15/h4-7,12H,3H2,1-2H3,(H,11,13) | Definition date: | 2020-09-17 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | N-ethyl-4-[(methylsulfonyl)amino]benzamide |
|
![VX4 VX4](https://data.pdbj.org/pdbjplus/data/cc/svg/VX4.svg) | VX4 | Name: | [(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone | Formula: | C11 H16 N2 O S | SMILES: | N2(C(c1cscn1)=O)CCC(C)CCC2 | InChi: | InChI=1S/C11H16N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3/t9-/m0/s1 | Definition date: | 2020-09-17 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | [(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone |
|
![VXD VXD](https://data.pdbj.org/pdbjplus/data/cc/svg/VXD.svg) | VXD | Name: | N-(3-chloro-2-methylphenyl)glycinamide | Formula: | C9 H11 Cl N2 O | SMILES: | N(C(=O)CN)c1cccc(c1C)Cl | InChi: | InChI=1S/C9H11ClN2O/c1-6-7(10)3-2-4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13) | Definition date: | 2020-09-17 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | N-(3-chloro-2-methylphenyl)glycinamide |
|
![T0D T0D](https://data.pdbj.org/pdbjplus/data/cc/svg/T0D.svg) | T0D | Name: | (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide | Formula: | C26 H38 Cl N3 O9 S | SMILES: | CC(COC(=O)NC(CC(C)C)C(NC(C(OC(C)=O)S(=O)(=O)O)CC1CCNC1=O)=O)(C)c2cc(ccc2)Cl | InChi: | InChI=1S/C26H38ClN3O9S/c1-15(2)11-20(30-25(34)38-14-26(4,5)18-7-6-8-19(27)13-18)23(33)29-21(12-17-9-10-28-22(17)32)24(39-16(3)31)40(35,36)37/h6-8,13,15,17,20-21,24H,9-12,14H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)(H,35,36,37)/t17-,20-,21-,24+/m0/s1 | Definition date: | 2020-03-16 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | (1R,2S)-1-(acetyloxy)-2-[(N-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
|
![DZU DZU](https://data.pdbj.org/pdbjplus/data/cc/svg/DZU.svg) | DZU | Name: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline | Formula: | C33 H35 N5 O | SMILES: | CN1CCN(CCCOc2cccc(c2)n3c(C=Cc4cccc5cccnc45)nc6cc(C)ccc36)CC1 | InChi: | InChI=1S/C33H35N5O/c1-25-12-14-31-30(23-25)35-32(15-13-27-8-3-7-26-9-5-16-34-33(26)27)38(31)28-10-4-11-29(24-28)39-22-6-17-37-20-18-36(2)19-21-37/h3-5,7-16,23-24H,6,17-22H2,1-2H3/b15-13+ | Definition date: | 2019-09-26 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | 8-[(~{E})-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline |
|
![E1L E1L](https://data.pdbj.org/pdbjplus/data/cc/svg/E1L.svg) | E1L | Name: | N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide | Formula: | C19 H16 F3 N3 O S | SMILES: | FC(F)(F)Oc1ccc(NC(=S)N2CCc3c(C2)[nH]c4ccccc34)cc1 | InChi: | InChI=1S/C19H16F3N3OS/c20-19(21,22)26-13-7-5-12(6-8-13)23-18(27)25-10-9-15-14-3-1-2-4-16(14)24-17(15)11-25/h1-8,24H,9-11H2,(H,23,27) | Definition date: | 2019-10-01 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | ~{N}-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide |
|
![E2V E2V](https://data.pdbj.org/pdbjplus/data/cc/svg/E2V.svg) | E2V | Name: | (2R)-2-(hexadecanoyloxy)propyl nonadecanoate | Formula: | C38 H74 O4 | SMILES: | C(CCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCCCC)=O)C)CCCCCCCCC | InChi: | InChI=1S/C38H74O4/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(39)41-35-36(3)42-38(40)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h36H,4-35H2,1-3H3/t36-/m1/s1 | Definition date: | 2017-11-29 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | (2R)-2-(hexadecanoyloxy)propyl nonadecanoate |
|
![O72 O72](https://data.pdbj.org/pdbjplus/data/cc/svg/O72.svg) | O72 | Name: | 1,7-naphthyridin-8-amine | Formula: | C8 H7 N3 | SMILES: | Nc1nccc2cccnc12 | InChi: | InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11) | Definition date: | 2020-02-17 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | 1,7-naphthyridin-8-amine |
|
![EGX EGX](https://data.pdbj.org/pdbjplus/data/cc/svg/EGX.svg) | EGX | Name: | 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione | Formula: | C22 H19 N3 O2 | SMILES: | O=C1c2ccccc2C(=O)c3c1cccc3c4cnn(c4)C5CCNCC5 | InChi: | InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2 | Definition date: | 2019-12-20 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione |
|
![EH0 EH0](https://data.pdbj.org/pdbjplus/data/cc/svg/EH0.svg) | EH0 | Name: | 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid | Formula: | C28 H21 Cl F2 N2 O9 | SMILES: | OC(=O)CCCOc1c(F)cc(cc1F)c2c(onc2C(=O)NCc3ccc(cc3)C(O)=O)c4cc(Cl)c(O)cc4O | InChi: | InChI=1S/C28H21ClF2N2O9/c29-17-10-16(20(34)11-21(17)35)25-23(15-8-18(30)26(19(31)9-15)41-7-1-2-22(36)37)24(33-42-25)27(38)32-12-13-3-5-14(6-4-13)28(39)40/h3-6,8-11,34-35H,1-2,7,12H2,(H,32,38)(H,36,37)(H,39,40) | Definition date: | 2019-12-20 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid |
|
![EH3 EH3](https://data.pdbj.org/pdbjplus/data/cc/svg/EH3.svg) | EH3 | Name: | 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid | Formula: | C30 H34 Cl N3 O9 S | SMILES: | C[S](=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NC[CH]4CC[CH](CC4)C(O)=O)c5cc(Cl)c(O)cc5O | InChi: | InChI=1S/C30H34ClN3O9S/c1-44(40,41)34-12-10-21(11-13-34)42-20-8-6-18(7-9-20)26-27(29(37)32-16-17-2-4-19(5-3-17)30(38)39)33-43-28(26)22-14-23(31)25(36)15-24(22)35/h6-9,14-15,17,19,21,35-36H,2-5,10-13,16H2,1H3,(H,32,37)(H,38,39)/t17-,19+ | Definition date: | 2019-12-20 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid |
|
![PUJ PUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/PUJ.svg) | PUJ | Name: | (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz
o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium | Formula: | C39 H48 F2 N3 O5 Si | SMILES: | c15c(ccc(c1)N2CC(F)C2)C(c3c(ccc(c3)C(NCCOCCOCCCCCC)=O)C(O)=O)=C6C=CC(=[N+]4/CC(F)C4)C=C6[Si]5(C)C | InChi: | InChI=1S/C39H47F2N3O5Si/c1-4-5-6-7-15-48-17-18-49-16-14-42-38(45)26-8-11-31(39(46)47)34(19-26)37-32-12-9-29(43-22-27(40)23-43)20-35(32)50(2,3)36-21-30(10-13-33(36)37)44-24-28(41)25-44/h8-13,19-21,27-28H,4-7,14-18,22-25H2,1-3H3,(H-,42,45,46,47)/p+1 | Synonyms: | JF635 | Definition date: | 2019-08-23 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium |
|
![F6O F6O](https://data.pdbj.org/pdbjplus/data/cc/svg/F6O.svg) | F6O | Name: | N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Formula: | C29 H40 N8 O3 S | SMILES: | COc1cc(ccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5 | InChi: | InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34) | Definition date: | 2020-04-03 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | ~{N}4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine |
|
![PVY PVY](https://data.pdbj.org/pdbjplus/data/cc/svg/PVY.svg) | PVY | Name: | 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium | Formula: | C35 H44 N3 O6 | SMILES: | CCCCCCOCCOCCNC(c1cc(c(cc1)C(O)=O)C3=C2C(=CC(/C=C2)=[N+](C)C)Oc4cc(ccc34)N(C)C)=O | InChi: | InChI=1S/C35H43N3O6/c1-6-7-8-9-17-42-19-20-43-18-16-36-34(39)24-10-13-27(35(40)41)30(21-24)33-28-14-11-25(37(2)3)22-31(28)44-32-23-26(38(4)5)12-15-29(32)33/h10-15,21-23H,6-9,16-20H2,1-5H3,(H-,36,39,40,41)/p+1 | Definition date: | 2019-08-26 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium |
|
![PZJ PZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/PZJ.svg) | PZJ | Name: | (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol | Formula: | C14 H19 Cl N2 O3 S | SMILES: | C1(CS(CC1N3CCN(c2c(cccc2)Cl)CC3)(=O)=O)O | InChi: | InChI=1S/C14H19ClN2O3S/c15-11-3-1-2-4-12(11)16-5-7-17(8-6-16)13-9-21(19,20)10-14(13)18/h1-4,13-14,18H,5-10H2/t13-,14-/m0/s1 | Definition date: | 2019-08-29 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | (3R,4R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-4-hydroxy-1lambda~6~-thiolane-1,1-dione |
|
![YIC YIC](https://data.pdbj.org/pdbjplus/data/cc/svg/YIC.svg) | YIC | Name: | (2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid | Formula: | C23 H32 N2 O4 | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCCN2C(=O)CCC3CCCC3 | InChi: | InChI=1S/C23H32N2O4/c26-21(14-13-17-8-4-5-9-17)25-15-7-6-12-20(25)22(27)24-19(23(28)29)16-18-10-2-1-3-11-18/h1-3,10-11,17,19-20H,4-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1 | Definition date: | 2019-10-08 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | (2~{S})-2-[[(2~{S})-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid |
|
![IHP IHP](https://data.pdbj.org/pdbjplus/data/cc/svg/IHP.svg) | IHP | Name: | INOSITOL HEXAKISPHOSPHATE | Formula: | C6 H18 O24 P6 | SMILES: | C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O | InChi: | InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6- | Synonyms: | MYO-INOSITOL HEXAKISPHOSPHATE | Definition date: | 1999-07-08 | Last modified: | 2020-09-23 | Identifier: | (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)] |
|
![L3S L3S](https://data.pdbj.org/pdbjplus/data/cc/svg/L3S.svg) | L3S | Name: | 5-methyl-2-nitrophenol | Formula: | C7 H7 N O3 | SMILES: | c1(cc(C)ccc1[N+](=O)[O-])O | InChi: | InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3 | Definition date: | 2019-02-06 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | 5-methyl-2-nitrophenol |
|
![L3V L3V](https://data.pdbj.org/pdbjplus/data/cc/svg/L3V.svg) | L3V | Name: | N-[4-(hydroxymethyl)phenyl]acetamide | Formula: | C9 H11 N O2 | SMILES: | CC(=O)Nc1ccc(CO)cc1 | InChi: | InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-5,11H,6H2,1H3,(H,10,12) | Definition date: | 2019-02-06 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | N-[4-(hydroxymethyl)phenyl]acetamide |
|
![L3Y L3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/L3Y.svg) | L3Y | Name: | 4-(methylsulfonyl)benzaldehyde | Formula: | C8 H8 O3 S | SMILES: | CS(c1ccc(C=O)cc1)(=O)=O | InChi: | InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3 | Definition date: | 2019-02-06 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | 4-(methylsulfonyl)benzaldehyde |
|
![OWQ OWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/OWQ.svg) | OWQ | Name: | 3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine | Formula: | C20 H20 N8 O | SMILES: | COc1ccc(cc1)n2nnc3cnc(N[CH]4CCN(C4)c5ccncc5)nc23 | InChi: | InChI=1S/C20H20N8O/c1-29-17-4-2-16(3-5-17)28-19-18(25-26-28)12-22-20(24-19)23-14-8-11-27(13-14)15-6-9-21-10-7-15/h2-7,9-10,12,14H,8,11,13H2,1H3,(H,22,23,24)/t14-/m1/s1 | Definition date: | 2020-04-06 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | 3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
|