![55G 55G](https://data.pdbj.org/pdbjplus/data/cc/svg/55G.svg) | 55G | Name: | 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one | Formula: | C20 H13 N5 O S | SMILES: | O=C1Nc5c(C(=C1)c2ccccc2)c(c3cnc(s3)c4cnccc4)nn5 | InChi: | InChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26) | Definition date: | 2015-07-28 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one |
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![55H 55H](https://data.pdbj.org/pdbjplus/data/cc/svg/55H.svg) | 55H | Name: | 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one | Formula: | C14 H9 N5 O S | SMILES: | O=C1Nc4c(C=C1)c(c3sc(c2cnccc2)nc3)nn4 | InChi: | InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20) | Definition date: | 2015-07-28 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one |
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![4QJ 4QJ](https://data.pdbj.org/pdbjplus/data/cc/svg/4QJ.svg) | 4QJ | Name: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one | Formula: | C29 H26 F N7 O | SMILES: | CN1C(=O)c2c(Nc3ccccc3)n(Cc4ccc(cc4)c5cccc(F)n5)nc2N6[CH]7CCC[CH]7N=C16 | InChi: | InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1 | Definition date: | 2016-01-13 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 |
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![4XR 4XR](https://data.pdbj.org/pdbjplus/data/cc/svg/4XR.svg) | 4XR | Name: | (2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol | Formula: | C6 H12 N2 O2 | SMILES: | OC1C(N)CC=C(O1)CN | InChi: | InChI=1S/C6H12N2O2/c7-3-4-1-2-5(8)6(9)10-4/h1,5-6,9H,2-3,7-8H2/t5-,6+/m1/s1 | Definition date: | 2015-06-18 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | (2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol |
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![5XG 5XG](https://data.pdbj.org/pdbjplus/data/cc/svg/5XG.svg) | 5XG | Name: | 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one | Formula: | C20 H21 Cl N6 O | SMILES: | Nc1[nH]nc2cc(ccc12)c3cncc(Cl)c3N4CCC5(CCNC5=O)CC4 | InChi: | InChI=1S/C20H21ClN6O/c21-15-11-23-10-14(12-1-2-13-16(9-12)25-26-18(13)22)17(15)27-7-4-20(5-8-27)3-6-24-19(20)28/h1-2,9-11H,3-8H2,(H,24,28)(H3,22,25,26) | Definition date: | 2015-12-21 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one |
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![5XV 5XV](https://data.pdbj.org/pdbjplus/data/cc/svg/5XV.svg) | 5XV | Name: | ~{N}-[6-[5-azanyl-6-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide | Formula: | C16 H15 F3 N6 O2 | SMILES: | C[CH](Oc1nc(cnc1N)c2ccc3nc(NC(C)=O)cn3c2)C(F)(F)F | InChi: | InChI=1S/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)/t8-/m0/s1 | Definition date: | 2015-12-28 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | ~{N}-[6-[5-azanyl-6-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide |
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![5Y6 5Y6](https://data.pdbj.org/pdbjplus/data/cc/svg/5Y6.svg) | 5Y6 | Name: | 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one | Formula: | C20 H21 Cl N4 O4 S | SMILES: | CN1c2ccc(cc2C[S]1(=O)=O)c3cncc(Cl)c3N4CCC5(CC4)CNC(=O)O5 | InChi: | InChI=1S/C20H21ClN4O4S/c1-24-17-3-2-13(8-14(17)11-30(24,27)28)15-9-22-10-16(21)18(15)25-6-4-20(5-7-25)12-23-19(26)29-20/h2-3,8-10H,4-7,11-12H2,1H3,(H,23,26) | Definition date: | 2016-01-05 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one |
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![5Y7 5Y7](https://data.pdbj.org/pdbjplus/data/cc/svg/5Y7.svg) | 5Y7 | Name: | 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide | Formula: | C24 H31 Cl N4 O3 S | SMILES: | COCCN1CCCC12CCN(CC2)c3c(Cl)cncc3c4ccc5N(C)[S](=O)(=O)Cc5c4 | InChi: | InChI=1S/C24H31ClN4O3S/c1-27-22-5-4-18(14-19(22)17-33(27,30)31)20-15-26-16-21(25)23(20)28-10-7-24(8-11-28)6-3-9-29(24)12-13-32-2/h4-5,14-16H,3,6-13,17H2,1-2H3 | Definition date: | 2016-01-05 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide |
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![5Y8 5Y8](https://data.pdbj.org/pdbjplus/data/cc/svg/5Y8.svg) | 5Y8 | Name: | 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one | Formula: | C21 H23 Cl N6 O | SMILES: | Cn1ncc2cc(ccc12)c3cnc(N)c(Cl)c3N4CCC5(CCNC5=O)CC4 | InChi: | InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29) | Definition date: | 2016-01-05 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one |
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![61S 61S](https://data.pdbj.org/pdbjplus/data/cc/svg/61S.svg) | 61S | Name: | tert-butyl (2R)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate | Formula: | C29 H34 N2 O4 | SMILES: | C(c1ccc(O)cc1)Cc3cc(C(NC(C(=O)OC(C)(C)C)CCc2ccccc2)=O)ccc3N | InChi: | InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m1/s1 | Definition date: | 2016-01-13 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | tert-butyl (2R)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate |
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![65K 65K](https://data.pdbj.org/pdbjplus/data/cc/svg/65K.svg) | 65K | Name: | 4-carbamimidoylbenzoic acid | Formula: | C8 H8 N2 O2 | SMILES: | C(c1ccc(/C(N)=N)cc1)(=O)O | InChi: | InChI=1S/C8H8N2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H3,9,10)(H,11,12) | Definition date: | 2016-01-27 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 4-carbamimidoylbenzoic acid |
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![3UO 3UO](https://data.pdbj.org/pdbjplus/data/cc/svg/3UO.svg) | 3UO | Name: | 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | Formula: | C16 H16 N4 O3 | SMILES: | O=C(Nc1nccc(c1)C(=O)Nc2c(OC)ccnc2)C3CC3 | InChi: | InChI=1S/C16H16N4O3/c1-23-13-5-6-17-9-12(13)19-16(22)11-4-7-18-14(8-11)20-15(21)10-2-3-10/h4-10H,2-3H2,1H3,(H,19,22)(H,18,20,21) | Definition date: | 2014-11-05 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide |
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![3UP 3UP](https://data.pdbj.org/pdbjplus/data/cc/svg/3UP.svg) | 3UP | Name: | 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide | Formula: | C21 H18 N4 O2 | SMILES: | O=C(Nc1nccc(c1)C(=O)Nc3c(c2ccccc2)ccnc3)C4CC4 | InChi: | InChI=1S/C21H18N4O2/c26-20(15-6-7-15)25-19-12-16(8-11-23-19)21(27)24-18-13-22-10-9-17(18)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2,(H,24,27)(H,23,25,26) | Definition date: | 2014-11-05 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide |
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![S2O S2O](https://data.pdbj.org/pdbjplus/data/cc/svg/S2O.svg) | S2O | Name: | 4-(2-hydroxyethyl)benzenesulfonamide | Formula: | C8 H11 N O3 S | SMILES: | O=S(=O)(N)c1ccc(cc1)CCO | InChi: | InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12) | Definition date: | 2015-03-24 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 4-(2-hydroxyethyl)benzenesulfonamide |
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![EVO EVO](https://data.pdbj.org/pdbjplus/data/cc/svg/EVO.svg) | EVO | Name: | (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one | Formula: | C14 H10 N2 O | SMILES: | O=C2C(c1c(cccc1)N2)=[C@H]c3cnccc3 | InChi: | InChI=1S/C14H10N2O/c17-14-12(8-10-4-3-7-15-9-10)11-5-1-2-6-13(11)16-14/h1-9H,(H,16,17)/b12-8+ | Definition date: | 2015-07-24 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one |
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![5NE 5NE](https://data.pdbj.org/pdbjplus/data/cc/svg/5NE.svg) | 5NE | Name: | 5-methylnaphthalene-1-carboxylic acid | Formula: | C12 H10 O2 | SMILES: | O=C(O)c1cccc2c1cccc2C | InChi: | InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14) | Definition date: | 2016-01-18 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 5-methylnaphthalene-1-carboxylic acid |
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![5NR 5NR](https://data.pdbj.org/pdbjplus/data/cc/svg/5NR.svg) | 5NR | Name: | 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine | Formula: | C14 H22 N2 | SMILES: | NCCN1CCC(CC1)Cc2ccccc2 | InChi: | InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2 | Definition date: | 2015-10-28 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine |
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![5T0 5T0](https://data.pdbj.org/pdbjplus/data/cc/svg/5T0.svg) | 5T0 | Name: | 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one | Formula: | C20 H31 N3 O | SMILES: | CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 | InChi: | InChI=1S/C20H31N3O/c1-21-16-18-4-7-19(8-5-18)22-14-10-17(11-15-22)6-9-20(24)23-12-2-3-13-23/h4-5,7-8,17,21H,2-3,6,9-16H2,1H3 | Definition date: | 2015-11-25 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one |
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![5T4 5T4](https://data.pdbj.org/pdbjplus/data/cc/svg/5T4.svg) | 5T4 | Name: | ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide | Formula: | C15 H23 N5 O | SMILES: | O=C(NCC1CCN(CC1)c2ncccn2)N3CCCC3 | InChi: | InChI=1S/C15H23N5O/c21-15(20-8-1-2-9-20)18-12-13-4-10-19(11-5-13)14-16-6-3-7-17-14/h3,6-7,13H,1-2,4-5,8-12H2,(H,18,21) | Definition date: | 2015-11-26 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide |
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![5TB 5TB](https://data.pdbj.org/pdbjplus/data/cc/svg/5TB.svg) | 5TB | Name: | 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one | Formula: | C20 H31 N3 O | SMILES: | CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3 | InChi: | InChI=1S/C20H31N3O/c1-21-15-18-7-10-19(11-8-18)22-13-4-14-23(16-22)20(24)12-9-17-5-2-3-6-17/h7-8,10-11,17,21H,2-6,9,12-16H2,1H3 | Definition date: | 2015-11-27 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one |
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![5TC 5TC](https://data.pdbj.org/pdbjplus/data/cc/svg/5TC.svg) | 5TC | Name: | 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide | Formula: | C27 H34 N4 O | SMILES: | O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)NCc3ccc(cc3)N4CCCCC4 | InChi: | InChI=1S/C27H34N4O/c28-20-23-4-9-26(10-5-23)31-18-14-22(15-19-31)8-13-27(32)29-21-24-6-11-25(12-7-24)30-16-2-1-3-17-30/h4-7,9-12,22H,1-3,8,13-19,21H2,(H,29,32) | Definition date: | 2015-11-28 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide |
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![5TD 5TD](https://data.pdbj.org/pdbjplus/data/cc/svg/5TD.svg) | 5TD | Name: | 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile | Formula: | C19 H25 N3 O | SMILES: | O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)N3CCCC3 | InChi: | InChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2 | Definition date: | 2015-11-28 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile |
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![5TE 5TE](https://data.pdbj.org/pdbjplus/data/cc/svg/5TE.svg) | 5TE | Name: | 3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide | Formula: | C19 H28 N2 O | SMILES: | O=C(CCC1CCCC1)Nc2cccc(c2)N3CCCCC3 | InChi: | InChI=1S/C19H28N2O/c22-19(12-11-16-7-2-3-8-16)20-17-9-6-10-18(15-17)21-13-4-1-5-14-21/h6,9-10,15-16H,1-5,7-8,11-14H2,(H,20,22) | Definition date: | 2015-11-28 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide |
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![5TG 5TG](https://data.pdbj.org/pdbjplus/data/cc/svg/5TG.svg) | 5TG | Name: | ~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate | Formula: | C25 H39 N3 O3 | SMILES: | CN(Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3)C(=O)OC(C)(C)C | InChi: | InChI=1S/C25H39N3O3/c1-25(2,3)31-24(30)26(4)19-21-7-10-22(11-8-21)27-17-13-20(14-18-27)9-12-23(29)28-15-5-6-16-28/h7-8,10-11,20H,5-6,9,12-19H2,1-4H3 | Definition date: | 2015-11-28 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | ~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate |
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![5TO 5TO](https://data.pdbj.org/pdbjplus/data/cc/svg/5TO.svg) | 5TO | Name: | 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one | Formula: | C12 H21 N O | SMILES: | O=C(CCC1CCCC1)N2CCCC2 | InChi: | InChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2 | Definition date: | 2015-11-30 | Last modified: | 2016-01-29 | Release date: | 2016-02-03 | Identifier: | 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one |
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