![0E0 0E0](https://data.pdbj.org/pdbjplus/data/cc/svg/0E0.svg) | 0E0 | Name: | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one | Formula: | C16 H19 N O3 | SMILES: | O=C2c1c(cccc1)C3=C(N2)CC(OC3)C(C)(C)CO | InChi: | InChI=1S/C16H19NO3/c1-16(2,9-18)14-7-13-12(8-20-14)10-5-3-4-6-11(10)15(19)17-13/h3-6,14,18H,7-9H2,1-2H3,(H,17,19)/t14-/m1/s1 | Definition date: | 2012-08-01 | Last modified: | 2015-08-07 | Release date: | 2015-08-12 | Identifier: | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one |
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![43R 43R](https://data.pdbj.org/pdbjplus/data/cc/svg/43R.svg) | 43R | Name: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide | Formula: | C14 H16 N4 O2 S | SMILES: | O=C(Nc1nc3c(s1)CN(c2cc(OC)cnc2)CC3)C | InChi: | InChI=1S/C14H16N4O2S/c1-9(19)16-14-17-12-3-4-18(8-13(12)21-14)10-5-11(20-2)7-15-6-10/h5-7H,3-4,8H2,1-2H3,(H,16,17,19) | Definition date: | 2015-02-02 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide |
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![4SN 4SN](https://data.pdbj.org/pdbjplus/data/cc/svg/4SN.svg) | 4SN | Name: | (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol | Formula: | C19 H32 N2 O14 S2 | SMILES: | C1(OC(C(C(C1OC(C)=O)OC(=O)C)OC(C)=O)COC(C)=O)S(=O)(=O)NCCCCCOS(=O)(=O)N | InChi: | InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16+,17+,18+,19-/m0/s1 | Definition date: | 2015-05-21 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol |
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![IXY IXY](https://data.pdbj.org/pdbjplus/data/cc/svg/IXY.svg) | IXY | Name: | N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | Formula: | C28 H30 N4 O2 S | SMILES: | O=C(c1c4c(sc1NC(=O)CNCCc3c2ccccc2nc3)CCCC4)NCc5ccccc5 | InChi: | InChI=1S/C28H30N4O2S/c33-25(18-29-15-14-20-17-30-23-12-6-4-10-21(20)23)32-28-26(22-11-5-7-13-24(22)35-28)27(34)31-16-19-8-2-1-3-9-19/h1-4,6,8-10,12,17,29-30H,5,7,11,13-16,18H2,(H,31,34)(H,32,33) | Definition date: | 2014-09-29 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
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![WLH WLH](https://data.pdbj.org/pdbjplus/data/cc/svg/WLH.svg) | WLH | Name: | 2-(4-METHYLPIPERAZIN-1-YL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-4-ONE | Formula: | C13 H20 N4 O | SMILES: | CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2 | InChi: | InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18) | Definition date: | 2015-03-06 | Last modified: | 2015-07-24 | Release date: | 2015-07-29 | Identifier: | 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one |
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![4RA 4RA](https://data.pdbj.org/pdbjplus/data/cc/svg/4RA.svg) | 4RA | Name: | [(2R,3R,4R,5S,6R)-3-acetamido-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | Formula: | C25 H36 N5 O20 P3 | SMILES: | O=C1N(C=CC(N1)=O)C2OC(C(C2O)O)COP(O)(=O)OP(O)(=O)OC3C(NC(C)=O)C(O)C(C(O3)C)N=Cc4c(O)c(C)ncc4COP(O)(O)=O | InChi: | InChI=1S/C25H36N5O20P3/c1-10-19(33)14(13(6-26-10)8-45-51(38,39)40)7-27-17-11(2)47-24(18(21(17)35)28-12(3)31)49-53(43,44)50-52(41,42)46-9-15-20(34)22(36)23(48-15)30-5-4-16(32)29-25(30)37/h4-7,11,15,17-18,20-24,33-36H,8-9H2,1-3H3,(H,28,31)(H,41,42)(H,43,44)(H,29,32,37)(H2,38,39,40)/b27-7+/t11-,15-,17-,18-,20-,21+,22-,23-,24-/m1/s1 | Definition date: | 2015-05-14 | Last modified: | 2015-07-24 | Release date: | 2015-07-29 | Identifier: | (2R,3R,4R,5S,6R)-3-(acetylamino)-4-hydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![4TJ 4TJ](https://data.pdbj.org/pdbjplus/data/cc/svg/4TJ.svg) | 4TJ | Name: | 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate | Formula: | C50 H66 N8 O12 S2 | SMILES: | N1(C(c6c(N(C)C1=O)nc(CCCC(NCCOCCOCCNC(=O)CCCCCN2/C(C(c3c2cc(cc3)S(O)(=O)=O)(C)C)=CC=CC=CC4=[N+](c5ccc(cc5C4(C)C)S(=O)([O-])=O)CC)=O)n6)=O)C | InChi: | InChI=1S/C50H66N8O12S2/c1-8-57-38-24-22-34(71(63,64)65)32-37(38)50(4,5)40(57)16-11-9-12-17-41-49(2,3)36-23-21-35(72(66,67)68)33-39(36)58(41)27-14-10-13-19-43(59)51-25-28-69-30-31-70-29-26-52-44(60)20-15-18-42-53-45-46(54-42)55(6)48(62)56(7)47(45)61/h9,11-12,16-17,21-24,32-33H,8,10,13-15,18-20,25-31H2,1-7H3,(H4-,51,52,53,54,59,60,61,63,64,65,66,67,68) | Definition date: | 2015-05-22 | Last modified: | 2015-07-24 | Release date: | 2015-07-29 | Identifier: | 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate |
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![JL9 JL9](https://data.pdbj.org/pdbjplus/data/cc/svg/JL9.svg) | JL9 | Name: | 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one | Formula: | C18 H23 N5 O | SMILES: | O=C1NC(=NC2=C1CCCC2)N3CCN(CC3)Cc4ccncc4 | InChi: | InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24) | Definition date: | 2015-03-06 | Last modified: | 2015-07-24 | Release date: | 2015-07-29 | Identifier: | 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one |
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![3XZ 3XZ](https://data.pdbj.org/pdbjplus/data/cc/svg/3XZ.svg) | 3XZ | Name: | bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate | Formula: | C20 H25 N10 O8 P | SMILES: | O=P(OCC3OC(n1c2ncnc(N)c2nc1)CC3O)(O)OCC6OC(n5cnc4c(ncnc45)N)CC6O | InChi: | InChI=1S/C20H25N10O8P/c21-17-15-19(25-5-23-17)29(7-27-15)13-1-9(31)11(37-13)3-35-39(33,34)36-4-12-10(32)2-14(38-12)30-8-28-16-18(22)24-6-26-20(16)30/h5-14,31-32H,1-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26)/t9-,10-,11+,12+,13+,14+/m0/s1 | Definition date: | 2014-12-08 | Last modified: | 2015-07-17 | Release date: | 2015-07-22 | Identifier: | bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate (non-preferred name) |
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![4WY 4WY](https://data.pdbj.org/pdbjplus/data/cc/svg/4WY.svg) | 4WY | Name: | {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) | Formula: | C10 H22 O26 P6 | SMILES: | O=P(CC(=O)OC1C(OP(O)(O)=O)C(C(C(C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(=O)O)OC(=O)CP(O)(=O)O)(O)O | InChi: | InChI=1S/C10H22O26P6/c11-3(1-37(13,14)15)31-5-7(33-39(19,20)21)6(32-4(12)2-38(16,17)18)9(35-41(25,26)27)10(36-42(28,29)30)8(5)34-40(22,23)24/h5-10H,1-2H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t5-,6+,7-,8-,9-,10-/m0/s1 | Definition date: | 2015-06-15 | Last modified: | 2015-07-17 | Release date: | 2015-07-22 | Identifier: | {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) |
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![4WZ 4WZ](https://data.pdbj.org/pdbjplus/data/cc/svg/4WZ.svg) | 4WZ | Name: | {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) | Formula: | C8 H24 O28 P8 | SMILES: | C1(C(C(C(C(C1OP(O)(O)=O)OP(O)(=O)O)OP(O)(O)=O)OP(CP(=O)(O)O)(O)=O)OP(O)(O)=O)OP(O)(=O)CP(O)(=O)O | InChi: | InChI=1S/C8H24O28P8/c9-37(10,11)1-39(15,16)31-3-5(33-41(19,20)21)4(32-40(17,18)2-38(12,13)14)7(35-43(25,26)27)8(36-44(28,29)30)6(3)34-42(22,23)24/h3-8H,1-2H2,(H,15,16)(H,17,18)(H2,9,10,11)(H2,12,13,14)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t3-,4+,5-,6-,7-,8-/m0/s1 | Definition date: | 2015-06-15 | Last modified: | 2015-07-17 | Release date: | 2015-07-22 | Identifier: | {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) |
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![4SS 4SS](https://data.pdbj.org/pdbjplus/data/cc/svg/4SS.svg) | 4SS | Name: | (S)-2-(2-((2H-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4H)-one | Formula: | C28 H28 Cl N5 O4 | SMILES: | c5(ccc(C3N(c1c(cc(C)cc1)OCc2nnnn2)C(=O)Cc4c3cc(c(c4)OCC)OCC)cc5)Cl | InChi: | InChI=1S/C28H28ClN5O4/c1-4-36-24-13-19-14-27(35)34(22-11-6-17(3)12-23(22)38-16-26-30-32-33-31-26)28(18-7-9-20(29)10-8-18)21(19)15-25(24)37-5-2/h6-13,15,28H,4-5,14,16H2,1-3H3,(H,30,31,32,33)/t28-/m0/s1 | Definition date: | 2015-05-21 | Last modified: | 2015-07-17 | Release date: | 2015-07-22 | Identifier: | (1S)-1-(4-chlorophenyl)-6,7-diethoxy-2-[4-methyl-2-(1H-tetrazol-5-ylmethoxy)phenyl]-1,4-dihydroisoquinolin-3(2H)-one |
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![4V8 4V8](https://data.pdbj.org/pdbjplus/data/cc/svg/4V8.svg) | 4V8 | Name: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one | Formula: | C23 H21 N5 O | SMILES: | c5(c1ccncc1)c4CN(C=2C=CN(C(C=2)=O)Cc3ccccc3)CCc4nn5 | InChi: | InChI=1S/C23H21N5O/c29-22-14-19(8-12-28(22)15-17-4-2-1-3-5-17)27-13-9-21-20(16-27)23(26-25-21)18-6-10-24-11-7-18/h1-8,10-12,14H,9,13,15-16H2,(H,25,26) | Definition date: | 2015-06-04 | Last modified: | 2015-07-10 | Release date: | 2015-07-15 | Identifier: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one |
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![4V9 4V9](https://data.pdbj.org/pdbjplus/data/cc/svg/4V9.svg) | 4V9 | Name: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine | Formula: | C17 H15 F N4 | SMILES: | c1(ccccn1)N4Cc3c(c2ccc(F)cc2)nnc3CC4 | InChi: | InChI=1S/C17H15FN4/c18-13-6-4-12(5-7-13)17-14-11-22(10-8-15(14)20-21-17)16-3-1-2-9-19-16/h1-7,9H,8,10-11H2,(H,20,21) | Definition date: | 2015-06-04 | Last modified: | 2015-07-10 | Release date: | 2015-07-15 | Identifier: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine |
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![4VB 4VB](https://data.pdbj.org/pdbjplus/data/cc/svg/4VB.svg) | 4VB | Name: | 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one | Formula: | C16 H15 N5 O | SMILES: | c4(c1ccncc1)c3CN(C=2C=CNC(C=2)=O)CCc3nn4 | InChi: | InChI=1S/C16H15N5O/c22-15-9-12(3-7-18-15)21-8-4-14-13(10-21)16(20-19-14)11-1-5-17-6-2-11/h1-3,5-7,9H,4,8,10H2,(H,18,22)(H,19,20) | Definition date: | 2015-06-04 | Last modified: | 2015-07-10 | Release date: | 2015-07-15 | Identifier: | 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one |
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![3QL 3QL](https://data.pdbj.org/pdbjplus/data/cc/svg/3QL.svg) | 3QL | Name: | N-[(1R,2S,3R,4R,5R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide | Formula: | C16 H26 N2 O10 | SMILES: | O=C(NC3C(O)C(O)C(OC3OC1C(O)C(NC(=O)C)C2OC1CO2)CO)C | InChi: | InChI=1S/C16H26N2O10/c1-5(20)17-9-12(23)11(22)7(3-19)26-16(9)28-14-8-4-25-15(27-8)10(13(14)24)18-6(2)21/h7-16,19,22-24H,3-4H2,1-2H3,(H,17,20)(H,18,21)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+/m1/s1 | Definition date: | 2014-10-08 | Last modified: | 2015-07-02 | Release date: | 2015-07-07 | Identifier: | N-[(1R,2S,3R,4R,5R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]acetamide (non-preferred name) |
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![34W 34W](https://data.pdbj.org/pdbjplus/data/cc/svg/34W.svg) | 34W | Name: | N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide | Formula: | C23 H25 F3 N6 O2 | SMILES: | FC(F)(F)c1c(nc(nc1)Nc2cc3c(cc2)C4N(C(=O)CNC(=O)C)C3CC4)NC5CCC5 | InChi: | InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1 | Definition date: | 2014-06-18 | Last modified: | 2015-06-26 | Release date: | 2015-07-01 | Identifier: | N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide |
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![3TV 3TV](https://data.pdbj.org/pdbjplus/data/cc/svg/3TV.svg) | 3TV | Name: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide | Formula: | C9 H9 F4 N O2 S2 | SMILES: | O=S(=O)(c1c(F)c(F)c(SCCC)c(F)c1F)N | InChi: | InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16) | Definition date: | 2014-10-24 | Last modified: | 2015-06-26 | Release date: | 2015-07-01 | Identifier: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide |
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![3UG 3UG](https://data.pdbj.org/pdbjplus/data/cc/svg/3UG.svg) | 3UG | Name: | 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide | Formula: | C11 H12 F4 N2 O2 S | SMILES: | O=S(=O)(N)c1c(F)c(F)c(c(F)c1F)N2CCCCC2 | InChi: | InChI=1S/C11H12F4N2O2S/c12-6-8(14)11(20(16,18)19)9(15)7(13)10(6)17-4-2-1-3-5-17/h1-5H2,(H2,16,18,19) | Definition date: | 2014-11-03 | Last modified: | 2015-06-26 | Release date: | 2015-07-01 | Identifier: | 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide |
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![M6F M6F](https://data.pdbj.org/pdbjplus/data/cc/svg/M6F.svg) | M6F | Name: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate | Formula: | C31 H55 N5 O10 | SMILES: | N(C(=O)OC1C(C(=O)OC(CC)C(C)(O)C(O)C(C(O)C(C)CC(C(C1C)OCC#C)(O)C)C)C)CCCNC(=N)NC(=O)NC | InChi: | InChI=1S/C31H55N5O10/c1-10-15-44-25-19(5)23(46-29(41)35-14-12-13-34-27(32)36-28(40)33-9)20(6)26(39)45-21(11-2)31(8,43)24(38)18(4)22(37)17(3)16-30(25,7)42/h1,17-25,37-38,42-43H,11-16H2,2-9H3,(H,35,41)(H4,32,33,34,36,40)/t17-,18+,19+,20-,21-,22+,23+,24-,25-,30-,31-/m1/s1 | Definition date: | 2015-04-17 | Last modified: | 2015-06-26 | Release date: | 2015-07-01 | Identifier: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate (non-preferred name) |
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![4A7 4A7](https://data.pdbj.org/pdbjplus/data/cc/svg/4A7.svg) | 4A7 | Name: | 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide | Formula: | C18 H20 N2 O5 S | SMILES: | O=S(=O)(c1ccc(OC)cc1OC)Nc2ccc3c(c2)CCC(=O)N3C | InChi: | InChI=1S/C18H20N2O5S/c1-20-15-7-5-13(10-12(15)4-9-18(20)21)19-26(22,23)17-8-6-14(24-2)11-16(17)25-3/h5-8,10-11,19H,4,9H2,1-3H3 | Definition date: | 2015-02-19 | Last modified: | 2015-06-19 | Release date: | 2015-06-24 | Identifier: | 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide |
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![4BV 4BV](https://data.pdbj.org/pdbjplus/data/cc/svg/4BV.svg) | 4BV | Name: | N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide | Formula: | C24 H27 N5 O6 S | SMILES: | O=S(=O)(c1ncn(c1)C)Nc4cc5c(cc4Oc3cc(OCC2CCOC2)ccc3)N(C(=O)N5C)C | InChi: | InChI=1S/C24H27N5O6S/c1-27-12-23(25-15-27)36(31,32)26-19-10-20-21(29(3)24(30)28(20)2)11-22(19)35-18-6-4-5-17(9-18)34-14-16-7-8-33-13-16/h4-6,9-12,15-16,26H,7-8,13-14H2,1-3H3/t16-/m0/s1 | Definition date: | 2015-02-25 | Last modified: | 2015-06-19 | Release date: | 2015-06-24 | Identifier: | N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide |
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![3GK 3GK](https://data.pdbj.org/pdbjplus/data/cc/svg/3GK.svg) | 3GK | Name: | N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide | Formula: | C16 H10 F3 N7 O | SMILES: | FC(F)(F)c1cc(c2ncnc2c1)C(=O)Nc3cccc(c3)c4nnnn4 | InChi: | InChI=1S/C16H10F3N7O/c17-16(18,19)9-5-11(13-12(6-9)20-7-21-13)15(27)22-10-3-1-2-8(4-10)14-23-25-26-24-14/h1-7H,(H,20,21)(H,22,27)(H,23,24,25,26) | Definition date: | 2014-08-15 | Last modified: | 2015-06-19 | Release date: | 2015-06-24 | Identifier: | N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide |
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![8TH 8TH](https://data.pdbj.org/pdbjplus/data/cc/svg/8TH.svg) | 8TH | Name: | chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium | Formula: | C30 H35 Cl Ir N3 O4 S2 | SMILES: | O=S(=O)(c1ccccc1)N2Cc8n([Ir]23456(Cl)C7(C)C3(C)C4(C)C5(CCC)C67C)ccc(c8)c9ccc(S(N)(=O)=O)cc9 | InChi: | InChI=1S/C18H16N3O4S2.C12H19.ClH.Ir/c19-26(22,23)17-8-6-14(7-9-17)15-10-11-20-16(12-15)13-21-27(24,25)18-4-2-1-3-5-18 | Definition date: | 2015-06-11 | Last modified: | 2015-06-19 | Release date: | 2015-06-24 | Identifier: | chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium |
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![35N 35N](https://data.pdbj.org/pdbjplus/data/cc/svg/35N.svg) | 35N | Name: | Copper(II) tetrapyrrole | Formula: | C16 H16 Cu N4 | SMILES: | c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4 | InChi: | InChI=1S/4C4H4N.Cu/c4*1-2-4-5-3-1 | Definition date: | 2014-06-19 | Last modified: | 2015-06-15 | Release date: | 2015-06-10 | Identifier: | tetra(pyrrol-1-yl)copper |
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