![O9J O9J](https://data.pdbj.org/pdbjplus/data/cc/svg/O9J.svg) | O9J | Name: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide | Formula: | C19 H16 F N3 O3 S | SMILES: | c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)c3 | InChi: | InChI=1S/C19H16FN3O3S/c1-13-11-14(17-9-5-6-10-21-17)12-16(18(13)20)19(24)22-23-27(25,26)15-7-3-2-4-8-15/h2-12,23H,1H3,(H,22,24) | Definition date: | 2019-06-19 | Last modified: | 2020-03-27 | Release date: | 2020-04-01 | Identifier: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide |
|
![M6Z M6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/M6Z.svg) | M6Z | Name: | 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide | Formula: | C9 H8 I N3 O | SMILES: | CNC(=O)c1n[nH]c2ccc(I)cc12 | InChi: | InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13) | Definition date: | 2019-10-03 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide |
|
![OOY OOY](https://data.pdbj.org/pdbjplus/data/cc/svg/OOY.svg) | OOY | Name: | N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide | Formula: | C27 H29 N3 O4 | SMILES: | c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5 | InChi: | InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31) | Definition date: | 2019-07-02 | Last modified: | 2020-02-21 | Release date: | 2020-02-26 | Identifier: | N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide |
|
![JUN JUN](https://data.pdbj.org/pdbjplus/data/cc/svg/JUN.svg) | JUN | Name: | (2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide | Formula: | C21 H20 F6 N2 O5 S | SMILES: | CC[S](=O)(=O)c1ccc(cc1)[CH](NC(C)=O)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C21H20F6N2O5S/c1-3-35(33,34)16-10-4-13(5-11-16)17(28-12(2)30)18(31)29-15-8-6-14(7-9-15)19(32,20(22,23)24)21(25,26)27/h4-11,17,32H,3H2,1-2H3,(H,28,30)(H,29,31)/t17-/m1/s1 | Definition date: | 2019-03-29 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | (2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide |
|
![H5A H5A](https://data.pdbj.org/pdbjplus/data/cc/svg/H5A.svg) | H5A | Name: | 3,4,5-trimethoxybenzoic acid | Formula: | C10 H12 O5 | SMILES: | c1(C(=O)O)cc(c(c(OC)c1)OC)OC | InChi: | InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) | Definition date: | 2018-06-11 | Last modified: | 2018-10-05 | Release date: | 2018-10-10 | Identifier: | 3,4,5-trimethoxybenzoic acid |
|
![8N3 8N3](https://data.pdbj.org/pdbjplus/data/cc/svg/8N3.svg) | 8N3 | Name: | (2R)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-N-oxidanyl-pentanamide | Formula: | C15 H23 N3 O3 | SMILES: | CC(C)C[CH](NC(=O)NCc1cccc(C)c1)C(=O)NO | InChi: | InChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1 | Definition date: | 2017-08-07 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | (2~{R})-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-~{N}-oxidanyl-pentanamide |
|
![C9G C9G](https://data.pdbj.org/pdbjplus/data/cc/svg/C9G.svg) | C9G | Name: | 2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one | Formula: | C17 H13 N5 O2 | SMILES: | c3cc(c2cn(c1ccc(cc1)O)nn2)nc4C(N(C)C=Cc34)=O | InChi: | InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3 | Definition date: | 2017-09-20 | Last modified: | 2017-12-29 | Release date: | 2018-01-03 | Identifier: | 2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one |
|
![QCL QCL](https://data.pdbj.org/pdbjplus/data/cc/svg/QCL.svg) | QCL | Name: | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde | Formula: | C16 H20 N2 O2 | SMILES: | CCC(CC)COc1cc(C=O)nc2c(N)cccc12 | InChi: | InChI=1S/C16H20N2O2/c1-3-11(4-2)10-20-15-8-12(9-19)18-16-13(15)6-5-7-14(16)17/h5-9,11H,3-4,10,17H2,1-2H3 | Definition date: | 2016-06-01 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde |
|
![6NU 6NU](https://data.pdbj.org/pdbjplus/data/cc/svg/6NU.svg) | 6NU | Name: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid | Formula: | C19 H19 F2 N5 O2 | SMILES: | CC1(CCC1)[CH](CC(O)=O)Nc2nc(ncc2F)c3c[nH]c4ncc(F)cc34 | InChi: | InChI=1S/C19H19F2N5O2/c1-19(3-2-4-19)14(6-15(27)28)25-18-13(21)9-24-17(26-18)12-8-23-16-11(12)5-10(20)7-22-16/h5,7-9,14H,2-4,6H2,1H3,(H,22,23)(H,27,28)(H,24,25,26)/t14-/m1/s1 | Definition date: | 2016-05-11 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid |
|
![6G1 6G1](https://data.pdbj.org/pdbjplus/data/cc/svg/6G1.svg) | 6G1 | Name: | cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | Formula: | C20 H25 N3 O3 S | SMILES: | C1CN(CCN1C(=O)C2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4 | InChi: | InChI=1S/C20H25N3O3S/c24-20(16-5-2-1-3-6-16)22-11-13-23(14-12-22)27(25,26)19-8-4-7-17-15-21-10-9-18(17)19/h4,7-10,15-16H,1-3,5-6,11-14H2 | Definition date: | 2016-04-04 | Last modified: | 2016-10-14 | Release date: | 2016-10-19 | Identifier: | cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone |
|
![H7Y H7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/H7Y.svg) | H7Y | Name: | ISOEUGENOL | Formula: | C10 H12 O2 | SMILES: | COc1cc(C=CC)ccc1O | InChi: | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ | Definition date: | 2016-03-01 | Last modified: | 2016-07-22 | Release date: | 2016-07-27 | Identifier: | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
|
![60Y 60Y](https://data.pdbj.org/pdbjplus/data/cc/svg/60Y.svg) | 60Y | Name: | 3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile | Formula: | C22 H18 F N7 O S | SMILES: | c1ccc(C#N)cc1c5cc(C34CN(c2ncc(F)cn2)CC3C(=O)N(C)C(=N)N4)sc5 | InChi: | InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1 | Definition date: | 2016-01-12 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile |
|
![SV7 SV7](https://data.pdbj.org/pdbjplus/data/cc/svg/SV7.svg) | SV7 | Name: | phenylphosphonic acid | Formula: | C6 H7 O3 P | SMILES: | O=P(O)(O)c1ccccc1 | InChi: | InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) | Definition date: | 2014-04-08 | Last modified: | 2015-04-24 | Release date: | 2015-04-29 | Identifier: | phenylphosphonic acid |
|
![2J3 2J3](https://data.pdbj.org/pdbjplus/data/cc/svg/2J3.svg) | 2J3 | Name: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol | Formula: | C9 H20 O4 | SMILES: | O(C(CO)C)CC(OCC(O)C)C | InChi: | InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1 | Definition date: | 2014-04-02 | Last modified: | 2014-12-05 | Release date: | 2014-12-10 | Identifier: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol |
|
![JS3 JS3](https://data.pdbj.org/pdbjplus/data/cc/svg/JS3.svg) | JS3 | Name: | 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide | Formula: | C15 H11 Cl N2 O S | SMILES: | O=C(c1sc(Cl)nc1C)Nc3cc2ccccc2cc3 | InChi: | InChI=1S/C15H11ClN2OS/c1-9-13(20-15(16)17-9)14(19)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19) | Definition date: | 2013-04-08 | Last modified: | 2014-03-21 | Release date: | 2014-03-26 | Identifier: | 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide |
|
![0YE 0YE](https://data.pdbj.org/pdbjplus/data/cc/svg/0YE.svg) | 0YE | Name: | 3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid | Formula: | C12 H11 N O3 | SMILES: | O=C(O)CCc2onc(c1ccccc1)c2 | InChi: | InChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(13-16-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15) | Definition date: | 2012-09-13 | Last modified: | 2012-09-13 | Identifier: | 3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid |
|
![O22 O22](https://data.pdbj.org/pdbjplus/data/cc/svg/O22.svg) | O22 | Name: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide | Formula: | C15 H15 N5 O2 | SMILES: | O=C(N)c1ccc(cc1)Nc2nc(OCC)c(C#N)c(c2)N | InChi: | InChI=1S/C15H15N5O2/c1-2-22-15-11(8-16)12(17)7-13(20-15)19-10-5-3-9(4-6-10)14(18)21/h3-7H,2H2,1H3,(H2,18,21)(H3,17,19,20) | Definition date: | 2012-04-17 | Last modified: | 2012-06-22 | Identifier: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide |
|
![RZW RZW](https://data.pdbj.org/pdbjplus/data/cc/svg/RZW.svg) | RZW | Name: | 5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one | Formula: | C14 H17 N O4 | SMILES: | O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2C)C | InChi: | InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3 | Definition date: | 2010-06-29 | Last modified: | 2012-01-06 | Identifier: | 5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one |
|
![BMQ BMQ](https://data.pdbj.org/pdbjplus/data/cc/svg/BMQ.svg) | BMQ | Name: | 1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID | Formula: | C9 H13 N2 O10 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1=O)C(O)C2O | InChi: | InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1 | Definition date: | 2000-03-02 | Last modified: | 2011-06-24 | Identifier: | 6-oxouridine 5'-(dihydrogen phosphate) |
|
![XDI XDI](https://data.pdbj.org/pdbjplus/data/cc/svg/XDI.svg) | XDI | Name: | 4,4'-propane-2,2-diylbis(2,6-dibromophenol) | Formula: | C15 H12 Br4 O2 | SMILES: | Brc1cc(cc(Br)c1O)C(c2cc(Br)c(O)c(Br)c2)(C)C | InChi: | InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3 | Definition date: | 2010-09-13 | Last modified: | 2011-06-04 | Identifier: | 4,4'-propane-2,2-diylbis(2,6-dibromophenol) |
|
![MOH MOH](https://data.pdbj.org/pdbjplus/data/cc/svg/MOH.svg) | MOH | Name: | METHANOL | Formula: | C H4 O | SMILES: | OC | InChi: | InChI=1S/CH4O/c1-2/h2H,1H3 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | methanol |
|
![A47 A47](https://data.pdbj.org/pdbjplus/data/cc/svg/A47.svg) | A47 | Name: | N6-METHOXY ADENOSINE 5'-MONOPHOSPHATE | Formula: | C11 H16 N5 O7 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c2ncnc1NOC)CC3O | InChi: | InChI=1S/C11H16N5O7P/c1-21-15-10-9-11(13-4-12-10)16(5-14-9)8-2-6(17)7(23-8)3-22-24(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,15)(H2,18,19,20)/t6-,7+,8+/m0/s1 | Definition date: | 2000-02-16 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxy-N-methoxyadenosine 5'-(dihydrogen phosphate) |
|
![PT3 PT3](https://data.pdbj.org/pdbjplus/data/cc/svg/PT3.svg) | PT3 | Name: | N-PROPYL-TARTRAMIC ACID | Formula: | C7 H13 N O5 | SMILES: | O=C(NCCC)C(O)C(O)C(=O)O | InChi: | InChI=1S/C7H13NO5/c1-2-3-8-6(11)4(9)5(10)7(12)13/h4-5,9-10H,2-3H2,1H3,(H,8,11)(H,12,13)/t4-,5-/m1/s1 | Definition date: | 1999-09-23 | Last modified: | 2011-06-04 | Identifier: | (2R,3R)-2,3-dihydroxy-4-oxo-4-(propylamino)butanoic acid |
|
![AJD AJD](https://data.pdbj.org/pdbjplus/data/cc/svg/AJD.svg) | AJD | Name: | 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid | Formula: | C12 H15 Br N2 O2 | SMILES: | O=C(O)c2c(NC1CCCNC1)ccc(Br)c2 | InChi: | InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/t9-/m1/s1 | Definition date: | 2009-09-16 | Last modified: | 2011-06-04 | Identifier: | 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid |
|
![AKD AKD](https://data.pdbj.org/pdbjplus/data/cc/svg/AKD.svg) | AKD | Name: | 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate | Formula: | C12 H14 Br N2 O2 | SMILES: | [O-]C(=O)c2c(NC1CCCNC1)ccc(Br)c2 | InChi: | InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/p-1/t9-/m0/s1 | Definition date: | 2009-09-16 | Last modified: | 2011-06-04 | Identifier: | 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate |
|