![VIL VIL](https://data.pdbj.org/pdbjplus/data/cc/svg/VIL.svg) | VIL | Name: | 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine | Formula: | C11 H16 Cl N5 | SMILES: | CC1(C)NC(=N[CH](N)N1c2ccc(Cl)cc2)N | InChi: | InChI=1S/C11H16ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6,10H,14H2,1-2H3,(H3,13,15,16)/t10-/m1/s1 | Definition date: | 2023-03-08 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine |
|
![V2O V2O](https://data.pdbj.org/pdbjplus/data/cc/svg/V2O.svg) | V2O | Name: | 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione | Formula: | C17 H19 F N2 O6 S | SMILES: | O=C1CN(c2c(F)c3cc(OCCC(C)(C)O)ccc3cc2O)S(=O)(=O)N1 | InChi: | InChI=1S/C17H19FN2O6S/c1-17(2,23)5-6-26-11-4-3-10-7-13(21)16(15(18)12(10)8-11)20-9-14(22)19-27(20,24)25/h3-4,7-8,21,23H,5-6,9H2,1-2H3,(H,19,22) | Definition date: | 2023-05-09 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione |
|
![S7R S7R](https://data.pdbj.org/pdbjplus/data/cc/svg/S7R.svg) | S7R | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide | Formula: | C23 H24 Cl N5 O S | SMILES: | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCNCC3)Nc4ccc(Cl)cc4)c2 | InChi: | InChI=1S/C23H24ClN5OS/c24-17-4-6-18(7-5-17)29-23(8-10-27-11-9-23)22(30)28-19-3-1-2-15(12-19)16-13-20(21(25)26)31-14-16/h1-7,12-14,27,29H,8-11H2,(H3,25,26)(H,28,30) | Definition date: | 2022-12-14 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide |
|
![VYC VYC](https://data.pdbj.org/pdbjplus/data/cc/svg/VYC.svg) | VYC | Name: | 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile | Formula: | C29 H25 Cl F N3 O3 | SMILES: | OCCNCc1ccc(OCc2cccc(c2Cl)c3ccccc3F)cc1OCc4cncc(c4)C#N | InChi: | InChI=1S/C29H25ClFN3O3/c30-29-23(4-3-6-26(29)25-5-1-2-7-27(25)31)19-36-24-9-8-22(17-33-10-11-35)28(13-24)37-18-21-12-20(14-32)15-34-16-21/h1-9,12-13,15-16,33,35H,10-11,17-19H2 | Definition date: | 2023-04-13 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile |
|
![S86 S86](https://data.pdbj.org/pdbjplus/data/cc/svg/S86.svg) | S86 | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide | Formula: | C24 H22 Cl F2 N3 O2 S | SMILES: | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC(F)(F)CC3)Oc4ccc(Cl)cc4)c2 | InChi: | InChI=1S/C24H22ClF2N3O2S/c25-17-4-6-19(7-5-17)32-23(8-10-24(26,27)11-9-23)22(31)30-18-3-1-2-15(12-18)16-13-20(21(28)29)33-14-16/h1-7,12-14H,8-11H2,(H3,28,29)(H,30,31) | Definition date: | 2022-12-14 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide |
|
![S8O S8O](https://data.pdbj.org/pdbjplus/data/cc/svg/S8O.svg) | S8O | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide | Formula: | C24 H24 Cl N3 O2 S | SMILES: | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccc(Cl)cc4)c2 | InChi: | InChI=1S/C24H24ClN3O2S/c25-18-7-9-20(10-8-18)30-24(11-2-1-3-12-24)23(29)28-19-6-4-5-16(13-19)17-14-21(22(26)27)31-15-17/h4-10,13-15H,1-3,11-12H2,(H3,26,27)(H,28,29) | Definition date: | 2022-12-14 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide |
|
![SD7 SD7](https://data.pdbj.org/pdbjplus/data/cc/svg/SD7.svg) | SD7 | Name: | 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide | Formula: | C14 H19 N3 O S | SMILES: | COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N | InChi: | InChI=1S/C14H19N3OS/c1-8(7-15)5-9-3-4-11(18-2)13-10(9)6-12(19-13)14(16)17/h3-4,6,8H,5,7,15H2,1-2H3,(H3,16,17)/t8-/m0/s1 | Definition date: | 2022-12-15 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide |
|
![SDM SDM](https://data.pdbj.org/pdbjplus/data/cc/svg/SDM.svg) | SDM | Name: | 4-ethoxy-1-benzothiophene-2-carboximidamide | Formula: | | SMILES: | CCOc1cccc2sc(cc12)C(N)=N | InChi: | InChI=1S/C11H12N2OS/c1-2-14-8-4-3-5-9-7(8)6-10(15-9)11(12)13/h3-6H,2H2,1H3,(H3,12,13) | Definition date: | 2022-12-15 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 4-ethoxy-1-benzothiophene-2-carboximidamide |
|
![SE3 SE3](https://data.pdbj.org/pdbjplus/data/cc/svg/SE3.svg) | SE3 | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide | Formula: | C21 H21 Cl N4 O S | SMILES: | CC(C)(Nc1ccc(Cl)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N | InChi: | InChI=1S/C21H21ClN4OS/c1-21(2,26-16-8-6-15(22)7-9-16)20(27)25-17-5-3-4-13(10-17)14-11-18(19(23)24)28-12-14/h3-12,26H,1-2H3,(H3,23,24)(H,25,27) | Definition date: | 2022-12-15 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide |
|
![SH9 SH9](https://data.pdbj.org/pdbjplus/data/cc/svg/SH9.svg) | SH9 | Name: | 4-ethoxy-1-benzothiophene-2-carboximidamide | Formula: | C11 H12 N2 O S | SMILES: | CCOc1cccc2sc(cc12)C(N)=N | InChi: | InChI=1S/C11H12N2OS/c1-2-14-8-4-3-5-9-7(8)6-10(15-9)11(12)13/h3-6H,2H2,1H3,(H3,12,13) | Definition date: | 2022-12-15 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 4-ethoxy-1-benzothiophene-2-carboximidamide |
|
![SOI SOI](https://data.pdbj.org/pdbjplus/data/cc/svg/SOI.svg) | SOI | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide | Formula: | C23 H23 Cl N4 O2 S | SMILES: | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCNCC3)Oc4ccc(Cl)cc4)c2 | InChi: | InChI=1S/C23H23ClN4O2S/c24-17-4-6-19(7-5-17)30-23(8-10-27-11-9-23)22(29)28-18-3-1-2-15(12-18)16-13-20(21(25)26)31-14-16/h1-7,12-14,27H,8-11H2,(H3,25,26)(H,28,29) | Definition date: | 2022-12-19 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide |
|
![SSX SSX](https://data.pdbj.org/pdbjplus/data/cc/svg/SSX.svg) | SSX | Name: | 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide | Formula: | C14 H19 N3 O S | SMILES: | COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N | InChi: | InChI=1S/C14H19N3OS/c1-8(7-15)5-9-3-4-11(18-2)13-10(9)6-12(19-13)14(16)17/h3-4,6,8H,5,7,15H2,1-2H3,(H3,16,17)/t8-/m1/s1 | Definition date: | 2022-12-19 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide |
|
![SWM SWM](https://data.pdbj.org/pdbjplus/data/cc/svg/SWM.svg) | SWM | Name: | 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide | Formula: | C9 H5 Br F2 N4 O S | SMILES: | FC(F)(Br)C(=O)Nc1sc(nn1)c2ccncc2 | InChi: | InChI=1S/C9H5BrF2N4OS/c10-9(11,12)7(17)14-8-16-15-6(18-8)5-1-3-13-4-2-5/h1-4H,(H,14,16,17) | Definition date: | 2022-12-19 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide |
|
![TG9 TG9](https://data.pdbj.org/pdbjplus/data/cc/svg/TG9.svg) | TG9 | Name: | 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide | Formula: | C17 H21 N3 S | SMILES: | NC(=N)c1sc(NC2CCCCC2)c(c1)c3ccccc3 | InChi: | InChI=1S/C17H21N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1,3-4,7-8,11,13,20H,2,5-6,9-10H2,(H3,18,19) | Definition date: | 2023-01-05 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide |
|
![TK0 TK0](https://data.pdbj.org/pdbjplus/data/cc/svg/TK0.svg) | TK0 | Name: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide | Formula: | C37 H34 N6 O2 S2 | SMILES: | O=C(NCc1ccc2sccc2c1)C1CCCN(C1)c1ncnc2sc(cc12)c1ccc(CCNC(=O)/C=C/c2cccnc2)cc1 | InChi: | InChI=1S/C37H34N6O2S2/c44-34(12-8-26-3-1-15-38-21-26)39-16-13-25-5-9-28(10-6-25)33-20-31-35(41-24-42-37(31)47-33)43-17-2-4-30(23-43)36(45)40-22-27-7-11-32-29(19-27)14-18-46-32/h1,3,5-12,14-15,18-21,24,30H,2,4,13,16-17,22-23H2,(H,39,44)(H,40,45)/b12-8+/t30-/m0/s1 | Definition date: | 2022-07-25 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide |
|
![IY9 IY9](https://data.pdbj.org/pdbjplus/data/cc/svg/IY9.svg) | IY9 | Name: | [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate | Formula: | C9 H10 N3 O7 P | SMILES: | NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2 | InChi: | InChI=1S/C9H10N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-3,13H,4H2,(H2,10,11,14)(H2,15,16,17) | Definition date: | 2022-08-02 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate |
|
![IYV IYV](https://data.pdbj.org/pdbjplus/data/cc/svg/IYV.svg) | IYV | Name: | (2R,3R,4S,5R,6R)-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol | Formula: | C9 H19 N O5 S | SMILES: | CS[CH]1O[CH]([CH](N)[CH](C)O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1 | Definition date: | 2022-08-04 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol |
|
![IZ8 IZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/IZ8.svg) | IZ8 | Name: | 4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid | Formula: | C34 H28 N6 O14 S4 | SMILES: | Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)[S](O)(=O)=O)[S](O)(=O)=O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)[S](O)(=O)=O)[S](O)(=O)=O)c(C)c4 | InChi: | InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+ | Definition date: | 2022-08-04 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid |
|
![IZM IZM](https://data.pdbj.org/pdbjplus/data/cc/svg/IZM.svg) | IZM | Name: | 5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine | Formula: | C15 H15 N3 O2 S | SMILES: | COc1ccc2nc(oc2c1)C=Cc3sc(nc3)N(C)C | InChi: | InChI=1S/C15H15N3O2S/c1-18(2)15-16-9-11(21-15)5-7-14-17-12-6-4-10(19-3)8-13(12)20-14/h4-9H,1-3H3/b7-5+ | Definition date: | 2022-08-04 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine |
|
![IZV IZV](https://data.pdbj.org/pdbjplus/data/cc/svg/IZV.svg) | IZV | Name: | 2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol | Formula: | C14 H12 N2 O S | SMILES: | CNc1ccc(cc1)c2sc3cc(O)ccc3n2 | InChi: | InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3 | Definition date: | 2022-08-04 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol |
|
![U0L U0L](https://data.pdbj.org/pdbjplus/data/cc/svg/U0L.svg) | U0L | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide | Formula: | C21 H19 Cl F N3 O2 S | SMILES: | CC(C)(Oc1ccc(Cl)c(F)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N | InChi: | InChI=1S/C21H19ClFN3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27) | Definition date: | 2023-01-18 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide |
|
![U3B U3B](https://data.pdbj.org/pdbjplus/data/cc/svg/U3B.svg) | U3B | Name: | Omadacycline | Formula: | C29 H40 N4 O7 | SMILES: | CN(C)[CH]1[CH]2C[CH]3Cc4c(cc(CNCC(C)(C)C)c(O)c4C(=C3C(=O)[C]2(O)C(=C(C(N)=O)C1=O)O)O)N(C)C | InChi: | InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1 | Synonyms: | Omadacycline | Definition date: | 2023-01-24 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | (4~{S},4~{a}~{S},5~{a}~{R},12~{a}~{R})-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12~{a}-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-tetracene-2-carboxamide |
|
![JV6 JV6](https://data.pdbj.org/pdbjplus/data/cc/svg/JV6.svg) | JV6 | Name: | 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid | Formula: | C12 H14 N6 O7 S | SMILES: | COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n(C)ncc2C(O)=O)n1 | InChi: | InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21) | Definition date: | 2022-08-29 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid |
|
![AV8 AV8](https://data.pdbj.org/pdbjplus/data/cc/svg/AV8.svg) | AV8 | Name: | 2-carboxamido-2-deacetyl-chelocardin | Formula: | C21 H20 N2 O7 | SMILES: | Cc1ccc2c(C)c3C[CH]4[CH](N)C(=C(C(N)=O)C(=O)[C]4(O)C(=O)c3c(O)c2c1O)O | InChi: | InChI=1S/C21H20N2O7/c1-6-3-4-8-7(2)9-5-10-14(22)17(26)13(20(23)29)19(28)21(10,30)18(27)12(9)16(25)11(8)15(6)24/h3-4,10,14,24-26,30H,5,22H2,1-2H3,(H2,23,29)/t10-,14+,21-/m1/s1 | Synonyms: | (4S,4aR,12aR)-4-azanyl-6,9-dimethyl-3,10,11,12a-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4a,5-dihydro-4H-tetracene-2-carboxamide | Definition date: | 2017-08-24 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | (4~{S},4~{a}~{R},12~{a}~{R})-4-azanyl-6,9-dimethyl-3,10,11,12~{a}-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4~{a},5-dihydro-4~{H}-tetracene-2-carboxamide |
|
![I2L I2L](https://data.pdbj.org/pdbjplus/data/cc/svg/I2L.svg) | I2L | Name: | 2-[4,8-dimethyl-2-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-3-yl]ethanoic acid | Formula: | C21 H17 F3 O5 | SMILES: | CC1=C(CC(O)=O)C(=O)Oc2c(C)c(OCc3cccc(c3)C(F)(F)F)ccc12 | InChi: | InChI=1S/C21H17F3O5/c1-11-15-6-7-17(12(2)19(15)29-20(27)16(11)9-18(25)26)28-10-13-4-3-5-14(8-13)21(22,23)24/h3-8H,9-10H2,1-2H3,(H,25,26) | Definition date: | 2022-06-01 | Last modified: | 2023-07-28 | Release date: | 2023-08-02 | Identifier: | 2-[4,8-dimethyl-2-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-3-yl]ethanoic acid |
|