![R6K R6K](https://data.pdbj.org/pdbjplus/data/cc/svg/R6K.svg) | R6K | Name: | 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide | Formula: | C34 H41 N7 O2 | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)c3ccc(CO[CH]4CCC[CH]4NC(=O)c5cc(cnc5N)c6cnn(C)c6)cc3 | InChi: | InChI=1S/C34H41N7O2/c1-39-14-16-41(17-15-39)21-24-6-10-26(11-7-24)27-12-8-25(9-13-27)23-43-32-5-3-4-31(32)38-34(42)30-18-28(19-36-33(30)35)29-20-37-40(2)22-29/h6-13,18-20,22,31-32H,3-5,14-17,21,23H2,1-2H3,(H2,35,36)(H,38,42)/t31-,32-/m0/s1 | Definition date: | 2020-09-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide |
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![QTT QTT](https://data.pdbj.org/pdbjplus/data/cc/svg/QTT.svg) | QTT | Name: | 2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid | Formula: | C23 H32 N4 O2 | SMILES: | CN(Cc1cccc(C)n1)[CH]2CCCC[CH]2N(CC(O)=O)Cc3cccc(C)n3 | InChi: | InChI=1S/C23H32N4O2/c1-17-8-6-10-19(24-17)14-26(3)21-12-4-5-13-22(21)27(16-23(28)29)15-20-11-7-9-18(2)25-20/h6-11,21-22H,4-5,12-16H2,1-3H3,(H,28,29)/t21-,22-/m0/s1 | Definition date: | 2020-08-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid |
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![SWS SWS](https://data.pdbj.org/pdbjplus/data/cc/svg/SWS.svg) | SWS | Name: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide | Formula: | C21 H28 N4 O2 | SMILES: | CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3cc(ncc3c2)N4CCC4 | InChi: | InChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26)/t16-,17- | Definition date: | 2020-03-13 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide |
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![ROY ROY](https://data.pdbj.org/pdbjplus/data/cc/svg/ROY.svg) | ROY | Name: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | Formula: | C17 H20 Cl2 N4 O | SMILES: | C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(=O)N)CC4CCNCC4 | InChi: | InChI=1S/C17H20Cl2N4O/c18-11-7-12(16(20)24)22-17-13(11)14(19)15(10-1-2-10)23(17)8-9-3-5-21-6-4-9/h7,9-10,21H,1-6,8H2,(H2,20,24) | Definition date: | 2020-02-18 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide |
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![VFG VFG](https://data.pdbj.org/pdbjplus/data/cc/svg/VFG.svg) | VFG | Name: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | Formula: | C5 H8 N4 O3 S2 | SMILES: | CCC(=O)Nc1nnc(S(N)(=O)=O)s1 | InChi: | InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10) | Definition date: | 2020-08-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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![VFJ VFJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VFJ.svg) | VFJ | Name: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide | Formula: | C6 H10 N4 O3 S2 | SMILES: | C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1 | InChi: | InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11) | Definition date: | 2020-08-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide |
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![VFM VFM](https://data.pdbj.org/pdbjplus/data/cc/svg/VFM.svg) | VFM | Name: | 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | Formula: | C6 H10 N4 O3 S2 | SMILES: | CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1 | InChi: | InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11) | Definition date: | 2020-08-10 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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![SL4 SL4](https://data.pdbj.org/pdbjplus/data/cc/svg/SL4.svg) | SL4 | Name: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile | Formula: | C23 H20 F N3 O4 S | SMILES: | CC(C)(C)[CH]1N(Cc2ccc(F)c(c2)C#N)C(=O)C(=C1O)C3=N[S](=O)(=O)c4ccccc34 | InChi: | InChI=1S/C23H20FN3O4S/c1-23(2,3)21-20(28)18(19-15-6-4-5-7-17(15)32(30,31)26-19)22(29)27(21)12-13-8-9-16(24)14(10-13)11-25/h4-10,21,28H,12H2,1-3H3/t21-/m1/s1 | Definition date: | 2020-03-11 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile |
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![VGS VGS](https://data.pdbj.org/pdbjplus/data/cc/svg/VGS.svg) | VGS | Name: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | Formula: | C7 H12 N4 O3 S2 | SMILES: | CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C | InChi: | InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12) | Definition date: | 2020-08-10 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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![VGV VGV](https://data.pdbj.org/pdbjplus/data/cc/svg/VGV.svg) | VGV | Name: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | Formula: | C9 H14 N4 O3 S2 | SMILES: | C2CC(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2 | InChi: | InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14) | Definition date: | 2020-08-10 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide |
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![FB9 FB9](https://data.pdbj.org/pdbjplus/data/cc/svg/FB9.svg) | FB9 | Name: | (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide | Formula: | C34 H37 N3 O5 | SMILES: | COC[CH]1[CH]([CH]2CN(C[CH](O)[CH](O)CN12)C(=O)Nc3ccc(OC4CC4)cc3)c5ccc(cc5)C#Cc6ccccc6 | InChi: | InChI=1S/C34H37N3O5/c1-41-22-30-33(25-11-9-24(10-12-25)8-7-23-5-3-2-4-6-23)29-19-36(20-31(38)32(39)21-37(29)30)34(40)35-26-13-15-27(16-14-26)42-28-17-18-28/h2-6,9-16,28-33,38-39H,17-22H2,1H3,(H,35,40)/t29-,30+,31+,32-,33+/m0/s1 | Definition date: | 2020-04-27 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | (3~{S},4~{R},8~{R},9~{R},10~{S})-~{N}-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide |
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![EL6 EL6](https://data.pdbj.org/pdbjplus/data/cc/svg/EL6.svg) | EL6 | Name: | [(2S)-2-octadecanoyloxypropyl] octadecanoate | Formula: | C39 H76 O4 | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1 | Definition date: | 2020-01-10 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | [(2~{S})-2-octadecanoyloxypropyl] octadecanoate |
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![GYX GYX](https://data.pdbj.org/pdbjplus/data/cc/svg/GYX.svg) | GYX | Name: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide | Formula: | C27 H31 N3 O2 | SMILES: | C[CH](N1CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4ccccc34 | InChi: | InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1 | Definition date: | 2020-10-09 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | ~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide |
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![E6O E6O](https://data.pdbj.org/pdbjplus/data/cc/svg/E6O.svg) | E6O | Name: | 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide | Formula: | C21 H21 Cl N4 O5 S | SMILES: | C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)cc1C(N)=O)C2=NNC(=O)O2)c3cccc4CCCc34 | InChi: | InChI=1S/C21H21ClN4O5S/c1-11(14-6-2-4-12-5-3-7-15(12)14)18(20-24-25-21(28)31-20)26-32(29,30)17-9-8-13(22)10-16(17)19(23)27/h2,4,6,8-11,18,26H,3,5,7H2,1H3,(H2,23,27)(H,25,28)/t11-,18+/m1/s1 | Definition date: | 2019-11-06 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 5-chloranyl-2-[[(1~{S},2~{R})-2-(2,3-dihydro-1~{H}-inden-4-yl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide |
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![EYR EYR](https://data.pdbj.org/pdbjplus/data/cc/svg/EYR.svg) | EYR | Name: | (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene | Formula: | C40 H68 | SMILES: | CC[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1 | Definition date: | 2020-02-26 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene |
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![EZC EZC](https://data.pdbj.org/pdbjplus/data/cc/svg/EZC.svg) | EZC | Name: | 2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid | Formula: | C20 H24 Cl2 O4 | SMILES: | CCCC[C]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 | InChi: | InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)/t20-/m1/s1 | Definition date: | 2020-02-27 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid |
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![N28 N28](https://data.pdbj.org/pdbjplus/data/cc/svg/N28.svg) | N28 | Name: | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide | Formula: | C20 H26 N4 O4 | SMILES: | NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1 | InChi: | InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26) | Definition date: | 2019-11-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide |
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![Q3W Q3W](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3W.svg) | Q3W | Name: | Carborane nido-butyl-sulfonamide | Formula: | C6 H10 B9 N O2 S | SMILES: | N[S](=O)(=O)CCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15 | InChi: | InChI=1S/C6H10B9NO2S/c16-19(17,18)4-2-1-3-6-5-7-9-8(6)12(6)10(5,6)11(5,7)13(7,9)14(8,9,12)15(10,11,12)13/h1-4H2,(H2,16,17,18) | Definition date: | 2020-05-07 | Last modified: | 2020-10-28 | Release date: | 2020-10-28 |
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![YD4 YD4](https://data.pdbj.org/pdbjplus/data/cc/svg/YD4.svg) | YD4 | Name: | 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione | Formula: | C26 H33 N5 O4 S | SMILES: | O=C1Nc3c(C=C1C)c(c2cc(cnc2)C)cnc3NC5C(OCC4CCS(=O)(=O)CC4)CNCC5 | InChi: | InChI=1S/C26H33N5O4S/c1-16-9-19(12-28-11-16)21-13-29-25(24-20(21)10-17(2)26(32)31-24)30-22-3-6-27-14-23(22)35-15-18-4-7-36(33,34)8-5-18/h9-13,18,22-23,27H,3-8,14-15H2,1-2H3,(H,29,30)(H,31,32)/t22-,23-/m1/s1 | Definition date: | 2017-12-05 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione |
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![RWV RWV](https://data.pdbj.org/pdbjplus/data/cc/svg/RWV.svg) | RWV | Name: | 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine | Formula: | C11 H19 N3 S | SMILES: | N1(CCC(CC1)CN)Cc2csc(n2)C | InChi: | InChI=1S/C11H19N3S/c1-9-13-11(8-15-9)7-14-4-2-10(6-12)3-5-14/h8,10H,2-7,12H2,1H3 | Definition date: | 2020-02-28 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine |
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![RXG RXG](https://data.pdbj.org/pdbjplus/data/cc/svg/RXG.svg) | RXG | Name: | 2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one | Formula: | C12 H10 F N O2 | SMILES: | C(Oc1ccc(cc1)F)C(=O)n2cccc2 | InChi: | InChI=1S/C12H10FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h1-8H,9H2 | Definition date: | 2020-02-28 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one |
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![RXJ RXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/RXJ.svg) | RXJ | Name: | 4-(4-methylpiperazin-1-yl)benzonitrile | Formula: | C12 H15 N3 | SMILES: | N2(c1ccc(cc1)C#N)CCN(CC2)C | InChi: | InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3 | Definition date: | 2020-02-28 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 4-(4-methylpiperazin-1-yl)benzonitrile |
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![RXS RXS](https://data.pdbj.org/pdbjplus/data/cc/svg/RXS.svg) | RXS | Name: | 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile | Formula: | C12 H11 N3 | SMILES: | n2(Cc1cc(ccc1)C#N)c(ncc2)C | InChi: | InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3 | Definition date: | 2020-02-28 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile |
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![R6H R6H](https://data.pdbj.org/pdbjplus/data/cc/svg/R6H.svg) | R6H | Name: | ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide | Formula: | C30 H26 F2 N4 O5 | SMILES: | CCOc1cn(nc1C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c5ccc(F)cc5C | InChi: | InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37) | Definition date: | 2020-09-07 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide |
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![R6N R6N](https://data.pdbj.org/pdbjplus/data/cc/svg/R6N.svg) | R6N | Name: | 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol | Formula: | C28 H40 N6 O | SMILES: | CCCCNc1ncc2c(n1)n(cc2c3ccc(CN4CCN(C)CC4)cc3)[CH]5CC[CH](O)CC5 | InChi: | InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | Definition date: | 2020-09-07 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol |
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