![365 365](https://data.pdbj.org/pdbjplus/data/cc/svg/365.svg) | 365 | Name: | [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | Formula: | C21 H27 B N6 O10 P | SMILES: | NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCCO)cccc16 | InChi: | InChI=1S/C21H27BN6O10P/c23-7-13-11-3-1-4-12(33-6-2-5-29)15(11)22(36-13)37-17-14(8-34-39(30,31)32)35-21(18(17)38-22)28-10-27-16-19(24)25-9-26-20(16)28/h1,3-4,9-10,13-14,17-18,21,29H,2,5-8,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/p-2/t13-,14-,17-,18-,21-,22+/m1/s1 | Synonyms: | 3-AMINOMETHYL-7-(3-HYDROXY-PROPOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine | Definition date: | 2013-01-21 | Last modified: | 2021-03-13 | Release date: | 2013-04-17 | Identifier: | [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
|
![IRF IRF](https://data.pdbj.org/pdbjplus/data/cc/svg/IRF.svg) | IRF | Name: | 1-DEOXY-1-(8-IODO-7-METHYL-2,4-DIOXO-3,4-DIHYDROBENZO[G]PTERIDIN-10(2H)-YL)-D-RIBITOL | Formula: | C16 H17 I N4 O6 | SMILES: | Ic2cc1N(C3=NC(=O)NC(=O)C3=Nc1cc2C)CC(O)C(O)C(O)CO | InChi: | InChI=1S/C16H17IN4O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1 | Synonyms: | 8-IODO-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL) | Definition date: | 2006-08-01 | Last modified: | 2021-03-13 | Identifier: | 1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol |
|
![IS1 IS1](https://data.pdbj.org/pdbjplus/data/cc/svg/IS1.svg) | IS1 | Name: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium | Formula: | C29 H38 N3 O6 | SMILES: | O=C(c1ccccc1)N2CCC(CC2)CCCCNC(=O)C=Cc3ccc[n+](c3)C4OC(C(O)C4O)CO | InChi: | InChI=1S/C29H37N3O6/c33-20-24-26(35)27(36)29(38-24)32-16-6-8-22(19-32)11-12-25(34)30-15-5-4-7-21-13-17-31(18-14-21)28(37)23-9-2-1-3-10-23/h1-3,6,8-12,16,19,21,24,26-27,29,33,35-36H,4-5,7,13-15,17-18,20H2/p+1/b12-11+/t24-,26-,27-,29-/m1/s1 | Synonyms: | 3-((E)-3-(4-(1-benzoylpiperidin-4-yl)butylamino)-3-oxoprop-1-enyl)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridinium | Definition date: | 2009-02-22 | Last modified: | 2021-03-13 | Identifier: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium |
|
![382 382](https://data.pdbj.org/pdbjplus/data/cc/svg/382.svg) | 382 | Name: | (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE | Formula: | C22 H23 F2 N7 O | SMILES: | FC(F)(C1NCCCC1)CNc3nccc2oc(nc23)Cc5ccccc5n4ncnc4 | InChi: | InChI=1S/C22H23F2N7O/c23-22(24,18-7-3-4-9-26-18)12-28-21-20-17(8-10-27-21)32-19(30-20)11-15-5-1-2-6-16(15)31-14-25-13-29-31/h1-2,5-6,8,10,13-14,18,26H,3-4,7,9,11-12H2,(H,27,28)/t18-/m1/s1 | Synonyms: | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | Definition date: | 2005-04-28 | Last modified: | 2021-03-13 | Identifier: | N-{2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}-2-[2-(1H-1,2,4-triazol-1-yl)benzyl][1,3]oxazolo[4,5-c]pyridin-4-amine |
|
![ITA ITA](https://data.pdbj.org/pdbjplus/data/cc/svg/ITA.svg) | ITA | Name: | {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID | Formula: | C16 H11 N O9 S | SMILES: | O=C(O)COC(=O)c2cc1ccccc1c3c2S(=O)(=O)N(C3=O)CC(=O)O | InChi: | InChI=1S/C16H11NO9S/c18-11(19)6-17-15(22)13-9-4-2-1-3-8(9)5-10(14(13)27(17,24)25)16(23)26-7-12(20)21/h1-5H,6-7H2,(H,18,19)(H,20,21) | Synonyms: | 2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[ 1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID CARBOXYMETHYL ESTER | Definition date: | 2006-11-15 | Last modified: | 2021-03-13 | Identifier: | {4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1H)-yl}acetic acid |
|
![LA1 LA1](https://data.pdbj.org/pdbjplus/data/cc/svg/LA1.svg) | LA1 | Name: | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE | Formula: | C33 H36 N4 O3 | SMILES: | O=C(NC)C(N1C(=O)C(N(C(=O)CC1)Cc2cc3ccccc3nc2)CC(C)C)Cc5cc4ccccc4cc5 | InChi: | InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m0/s1 | Synonyms: | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | Definition date: | 2004-11-01 | Last modified: | 2021-03-13 | Identifier: | (2S)-N-methyl-2-[(3S)-3-(2-methylpropyl)-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanamide |
|
![LA3 LA3](https://data.pdbj.org/pdbjplus/data/cc/svg/LA3.svg) | LA3 | Name: | (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide | Formula: | C27 H26 N2 O6 | SMILES: | ONC(=O)C[CH](Cc1ccc(cc1)c2ccc3OCOc3c2)C(=O)N[CH]4[CH](O)Cc5ccccc45 | InChi: | InChI=1S/C27H26N2O6/c30-22-12-19-3-1-2-4-21(19)26(22)28-27(32)20(14-25(31)29-33)11-16-5-7-17(8-6-16)18-9-10-23-24(13-18)35-15-34-23/h1-10,13,20,22,26,30,33H,11-12,14-15H2,(H,28,32)(H,29,31)/t20-,22-,26+/m1/s1 | Synonyms: | (R)-2-(4-(benzo[d][1,3]dioxol-5-yl)benzyl)-N4-hydroxy-N1-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl) succinamide | Definition date: | 2010-01-28 | Last modified: | 2021-03-13 | Identifier: | (2R)-2-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-N'-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide |
|
![LAR LAR](https://data.pdbj.org/pdbjplus/data/cc/svg/LAR.svg) | LAR | Name: | LATRUNCULIN A | Formula: | C22 H31 N O5 S | SMILES: | O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C=CC=CCCC(=C3)C)C | InChi: | InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1 | Synonyms: | 4-(17-HYDROXY-5,12-DIMETHYL-3-OXO-2,16-DIOXABICYCLO[13.3.1]NONADECA-4,8,10-TRIEN-17-YL)-2-THIAZOLIDINONE | Definition date: | 2000-04-13 | Last modified: | 2021-03-13 | Identifier: | (4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one |
|
![LBM LBM](https://data.pdbj.org/pdbjplus/data/cc/svg/LBM.svg) | LBM | Name: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl
)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide | Formula: | C45 H50 Cl N7 O7 S | SMILES: | c1c(Cl)ccc(c1)C8=C(CN2CCN(CC2)c5cc(Oc4cc3c(ncc3)nc4)c(cc5)C(=O)NS(c7ccc(NCC6CCOCC6)c(c7)[N+]([O-])=O)(=O)=O)CCC(C)(C8)C | InChi: | InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54) | Synonyms: | Venetoclax,
2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)pipe
razin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide | Definition date: | 2019-02-18 | Last modified: | 2021-03-13 | Release date: | 2019-05-22 | Identifier: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide |
|
![LCE LCE](https://data.pdbj.org/pdbjplus/data/cc/svg/LCE.svg) | LCE | Name: | (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid | Formula: | C8 H8 Cl2 O4 S | SMILES: | O=C(O)C1C2C(=O)C(Cl)(Cl)C2SC1OC | InChi: | InChI=1S/C8H8Cl2O4S/c1-14-7-3(6(12)13)2-4(11)8(9,10)5(2)15-7/h2-3,5,7H,1H3,(H,12,13)/t2-,3-,5-,7-/m0/s1 | Synonyms: | (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid | Definition date: | 2010-02-15 | Last modified: | 2021-03-13 | Identifier: | (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid |
|
![3BF 3BF](https://data.pdbj.org/pdbjplus/data/cc/svg/3BF.svg) | 3BF | Name: | thiazotropsin B | Formula: | C25 H36 N9 O4 S | SMILES: | O=C(Nc1nc(C(=O)NCCC[NH+](C)C)c(s1)C(C)C)c3cc(NC(=O)c2nc(NC(=O)C)cn2C)cn3C | InChi: | InChI=1S/C25H35N9O4S/c1-14(2)20-19(23(37)26-9-8-10-32(4)5)30-25(39-20)31-22(36)17-11-16(12-33(17)6)28-24(38)21-29-18(13-34(21)7)27-15(3)35/h11-14H,8-10H2,1-7H3,(H,26,37)(H,27,35)(H,28,38)(H,30,31,36)/p+1 | Synonyms: | 3-({[2-({[4-({[4-(acetylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(propan-2-yl)-1,3-thiazol-4-yl]carbonyl}amino)-N,N-dimethylpropan-1-aminium | Definition date: | 2014-07-17 | Last modified: | 2021-03-13 | Release date: | 2014-07-30 | Identifier: | 3-({[2-({[4-({[4-(acetylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(propan-2-yl)-1,3-thiazol-4-yl]carbonyl}amino)-N,N-dimethylpropan-1-aminium |
|
![3BV 3BV](https://data.pdbj.org/pdbjplus/data/cc/svg/3BV.svg) | 3BV | Name: | N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide | Formula: | C40 H61 N5 O7 | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)C(C)CO)Cc1ccccc1)CC(C)C)CCc2ccccc2)CN3CCOCC3 | InChi: | InChI=1S/C40H61N5O7/c1-27(2)22-33(37(48)29(5)26-46)42-40(51)35(24-31-14-10-7-11-15-31)44-39(50)34(23-28(3)4)43-38(49)32(17-16-30-12-8-6-9-13-30)41-36(47)25-45-18-20-52-21-19-45/h6-15,27-29,32-35,37,46,48H,16-26H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)/t29-,32+,33+,34+,35+,37+/m1/s1 | Synonyms: | CARFILZOMIB, bound form | Definition date: | 2014-07-23 | Last modified: | 2021-03-13 | Release date: | 2015-02-04 | Identifier: | N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide |
|
![LD2 LD2](https://data.pdbj.org/pdbjplus/data/cc/svg/LD2.svg) | LD2 | Name: | 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one | Formula: | C18 H15 N5 O2 S | SMILES: | O=C1Nc4c(OC1)ccc(C(=Nn2cnnc2S)Cc3ccccc3)c4 | InChi: | InChI=1S/C18H15N5O2S/c24-17-10-25-16-7-6-13(9-15(16)20-17)14(8-12-4-2-1-3-5-12)22-23-11-19-21-18(23)26/h1-7,9,11H,8,10H2,(H,20,24)(H,21,26)/b22-14+ | Synonyms: | 6-[(1E)-N-(3-mercapto-4H-1,2,4-triazolo-4-yl)-2-phenylethanimidoyl]-2H-1,4-benzooxazin-3(4H)-one | Definition date: | 2011-09-27 | Last modified: | 2021-03-13 | Identifier: | 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one |
|
![3CU 3CU](https://data.pdbj.org/pdbjplus/data/cc/svg/3CU.svg) | 3CU | Name: | CASUARINE | Formula: | C8 H15 N O5 | SMILES: | OC2C(O)C1N(C(C(O)C1O)CO)C2 | InChi: | InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1 | Synonyms: | (1R,2R,3R,6S,7S,7aR)-3-(hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6,7-tetrol | Definition date: | 2008-03-28 | Last modified: | 2021-03-13 | Identifier: | (1R,2R,3R,6S,7S,7aR)-3-(hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6,7-tetrol |
|
![3EK 3EK](https://data.pdbj.org/pdbjplus/data/cc/svg/3EK.svg) | 3EK | Name: | trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid | Formula: | C24 H26 F N5 O3 | SMILES: | Fc1ccc(cc1)CNC(=O)c4nc(cc(c2ncn(n2)CC3CCC(C(=O)O)CC3)c4)C | InChi: | InChI=1S/C24H26FN5O3/c1-15-10-19(11-21(28-15)23(31)26-12-16-4-8-20(25)9-5-16)22-27-14-30(29-22)13-17-2-6-18(7-3-17)24(32)33/h4-5,8-11,14,17-18H,2-3,6-7,12-13H2,1H3,(H,26,31)(H,32,33)/t17-,18- | Synonyms: | (1r,4r)-4-((3-(2((4-fluorobenzyl)carbamoyl)-6-methylpyridin-4-yl)-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid | Definition date: | 2009-10-29 | Last modified: | 2021-03-13 | Identifier: | trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid |
|
![LFN LFN](https://data.pdbj.org/pdbjplus/data/cc/svg/LFN.svg) | LFN | Name: | LUMIFLAVIN | Formula: | C13 H12 N4 O2 | SMILES: | O=C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C | InChi: | InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19) | Synonyms: | 7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE | Definition date: | 2006-01-13 | Last modified: | 2021-03-13 | Identifier: | 7,8,10-trimethylbenzo[g]pteridine-2,4(3H,10H)-dione |
|
![LGD LGD](https://data.pdbj.org/pdbjplus/data/cc/svg/LGD.svg) | LGD | Name: | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE | Formula: | C14 H9 F9 N2 O | SMILES: | FC(F)(F)CN(c2ccc1c(C(=CC(=O)N1)C(F)(F)F)c2)CC(F)(F)F | InChi: | InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26) | Synonyms: | 1,2-DIHYDRO-6-N,N-BIS(2,2,2-TRIFLUOROETHYL)AMINO-4-TRIFLUOROMETHYL-2-QUINOLINONE | Definition date: | 2006-08-01 | Last modified: | 2021-03-13 | Identifier: | 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1H)-one |
|
![LGF LGF](https://data.pdbj.org/pdbjplus/data/cc/svg/LGF.svg) | LGF | Name: | 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione | Formula: | C27 H24 F2 N6 O5 | SMILES: | COc1nc2[nH]cc(C(=O)C(=O)N3CC[CH](O)C3)c2cc1C(=O)N4CCn5c(C4)cnc5c6ccc(F)cc6F | InChi: | InChI=1S/C27H24F2N6O5/c1-40-25-19(9-18-20(11-30-23(18)32-25)22(37)27(39)33-5-4-16(36)13-33)26(38)34-6-7-35-15(12-34)10-31-24(35)17-3-2-14(28)8-21(17)29/h2-3,8-11,16,36H,4-7,12-13H2,1H3,(H,30,32)/t16-/m1/s1 | Synonyms: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | Definition date: | 2007-06-25 | Last modified: | 2021-03-13 | Identifier: | 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione |
|
![LIB LIB](https://data.pdbj.org/pdbjplus/data/cc/svg/LIB.svg) | LIB | Name: | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA | Formula: | C23 H26 Cl N5 O3 | SMILES: | Clc1ccccc1NC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C)c3ccc(OC)cc3 | InChi: | InChI=1S/C23H26ClN5O3/c1-15(23(2,3)31)26-21-25-14-13-20(28-21)29(16-9-11-17(32-4)12-10-16)22(30)27-19-8-6-5-7-18(19)24/h5-15,31H,1-4H3,(H,27,30)(H,25,26,28)/t15-/m0/s1 | Synonyms: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE | Definition date: | 2006-03-28 | Last modified: | 2021-03-13 | Identifier: | 3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea |
|
![LID LID](https://data.pdbj.org/pdbjplus/data/cc/svg/LID.svg) | LID | Name: | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM | Formula: | C19 H15 Cl F2 N6 | SMILES: | Fc1cccc(F)c1Nc2ncc3nc(n(c3n2)CC)Nc4ccccc4Cl | InChi: | InChI=1S/C19H15ClF2N6/c1-2-28-17-15(25-19(28)24-14-9-4-3-6-11(14)20)10-23-18(27-17)26-16-12(21)7-5-8-13(16)22/h3-10H,2H2,1H3,(H,24,25)(H,23,26,27) | Synonyms: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE | Definition date: | 2006-05-01 | Last modified: | 2021-03-13 | Identifier: | N~8~-(2-chlorophenyl)-N~2~-(2,6-difluorophenyl)-9-ethyl-9H-purine-2,8-diamine |
|
![LJ2 LJ2](https://data.pdbj.org/pdbjplus/data/cc/svg/LJ2.svg) | LJ2 | Name: | 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol | Formula: | C14 H10 Br2 O | SMILES: | Brc1cc(cc(Br)c1O)C=Cc2ccccc2 | InChi: | InChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+ | Synonyms: | 3,5-Dibromo-4-hydroxystilbene | Definition date: | 2008-03-25 | Last modified: | 2021-03-13 | Identifier: | 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol |
|
![LLF LLF](https://data.pdbj.org/pdbjplus/data/cc/svg/LLF.svg) | LLF | Name: | (4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | Formula: | C10 H13 F2 N2 O5 P | SMILES: | FC(F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O | InChi: | InChI=1S/C10H13F2N2O5P/c1-6-10(15)8(3-13-4-9(11)12)7(2-14-6)5-19-20(16,17)18/h2-3,9,15H,4-5H2,1H3,(H2,16,17,18)/b13-3+ | Synonyms: | (E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE | Definition date: | 2006-04-05 | Last modified: | 2021-03-13 | Identifier: | (4-{(E)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
|
![LLJ LLJ](https://data.pdbj.org/pdbjplus/data/cc/svg/LLJ.svg) | LLJ | Name: | 6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene | Formula: | C32 H44 N4 O2 | SMILES: | O4CC[NH2+]Cc2cc1cc(ccc1cc2)C[NH2+]CCOCC[NH2+]Cc5ccc3c(cc(cc3)C[NH2+]CC4)c5 | InChi: | InChI=1S/C32H40N4O2/c1-5-29-6-2-26-18-31(29)17-25(1)21-33-9-13-37-14-10-35-23-27-3-7-30-8-4-28(20-32(30)19-27)24-36-12-16-38-15-11-34-22-26/h1-8,17-20,33-36H,9-16,21-24H2/p+4 | Synonyms: | 2,8,19,25-tetraaza-5,22-dioxa-[9,9](2,7)naphthalenophane | Definition date: | 2012-02-17 | Last modified: | 2021-03-13 | Release date: | 2013-02-15 | Identifier: | 6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene (non-preferred name) |
|
![LM2 LM2](https://data.pdbj.org/pdbjplus/data/cc/svg/LM2.svg) | LM2 | Name: | 4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE | Formula: | C19 H34 N2 O15 | SMILES: | O(C1C(O)C(O)C(=NO)NC1CO)C3OC(C(OC2OC(CO)C(OC)C(O)C2O)C(O)C3O)CO | InChi: | InChI=1S/C19H34N2O15/c1-32-15-6(3-23)33-19(12(29)9(15)26)36-16-7(4-24)34-18(13(30)10(16)27)35-14-5(2-22)20-17(21-31)11(28)8(14)25/h5-16,18-19,22-31H,2-4H2,1H3,(H,20,21)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19-/m1/s1 | Synonyms: | 4'-O-METHYL-MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM | Definition date: | 2004-08-05 | Last modified: | 2021-03-13 | Identifier: | (2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-(4-O-methyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranoside |
|
![LM8 LM8](https://data.pdbj.org/pdbjplus/data/cc/svg/LM8.svg) | LM8 | Name: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid | Formula: | C21 H34 O2 | SMILES: | O=C(O)CCCC=C/CC=C/CC=C/C(C=C/CCCCC)C | InChi: | InChI=1S/C21H34O2/c1-3-4-5-11-14-17-20(2)18-15-12-9-7-6-8-10-13-16-19-21(22)23/h7-10,14-15,17-18,20H,3-6,11-13,16,19H2,1-2H3,(H,22,23)/b9-7-,10-8-,17-14-,18-15-/t20-/m0/s1 | Synonyms: | (5Z,8Z,11Z,14Z)-13S-methyl-5,8,11,14-eicosatetraenoic acid | Definition date: | 2014-11-26 | Last modified: | 2021-03-13 | Release date: | 2015-02-11 | Identifier: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid |
|