 | | 6C5 | | Name: | N-(cyclopentylmethyl)pyrrolidine-1-carboxamide | | Formula: | C11 H20 N2 O | | SMILES: | C1CCCN1C(NCC2CCCC2)=O | | InChi: | InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)12-9-10-5-1-2-6-10/h10H,1-9H2,(H,12,14) | | Definition date: | 2016-03-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | N-(cyclopentylmethyl)pyrrolidine-1-carboxamide |
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 | | 6C8 | | Name: | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one | | Formula: | C11 H13 N O2 | | SMILES: | O=C(C=Cc1cocc1)N2CCCC2 | | InChi: | InChI=1S/C11H13NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h3-5,8-9H,1-2,6-7H2/b4-3+ | | Definition date: | 2016-03-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one |
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 | | 6C9 | | Name: | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide | | Formula: | C10 H18 N2 O2 | | SMILES: | O=C(N1CCCC1)NCC2CCOC2 | | InChi: | InChI=1S/C10H18N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h9H,1-8H2,(H,11,13)/t9-/m0/s1 | | Definition date: | 2016-03-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide |
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 | | 6CC | | Name: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide | | Formula: | C9 H8 Cl N3 O2 S2 | | SMILES: | c2c(c1cc(c(Cl)cc1)S(=O)(=O)N)nc(N)s2 | | InChi: | InChI=1S/C9H8ClN3O2S2/c10-6-2-1-5(3-8(6)17(12,14)15)7-4-16-9(11)13-7/h1-4H,(H2,11,13)(H2,12,14,15) | | Definition date: | 2016-03-10 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide |
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 | | 6CX | | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine | | Formula: | C18 H25 N9 O5 | | SMILES: | c2nc1n(cnc1c(n2)N)C4C(C(C(CN(Cc3cncn3)CCC(C(O)=O)N)O4)O)O | | InChi: | InChI=1S/C18H25N9O5/c19-10(18(30)31)1-2-26(4-9-3-21-6-22-9)5-11-13(28)14(29)17(32-11)27-8-25-12-15(20)23-7-24-16(12)27/h3,6-8,10-11,13-14,17,28-29H,1-2,4-5,19H2,(H,21,22)(H,30,31)(H2,20,23,24)/t10-,11+,13+,14+,17+/m0/s1 | | Definition date: | 2016-03-15 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine |
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 | | 6E1 | | Name: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside | | Formula: | C28 H28 F8 N2 O12 S | | SMILES: | c4(c(OC)c(F)c(c(C(NC3C(C(SC2C(C(NC(c1c(F)c(c(OC)c(F)c1F)F)=O)C(O)C(O2)CO)O)OC(C3O)CO)O)=O)c4F)F)F | | InChi: | InChI=1S/C28H28F8N2O12S/c1-47-23-13(33)9(29)7(10(30)14(23)34)25(45)37-17-19(41)5(3-39)49-27(21(17)43)51-28-22(44)18(20(42)6(4-40)50-28)38-26(46)8-11(31)15(35)24(48-2)16(36)12(8)32/h5-6,17-22,27-28,39-44H,3-4H2,1-2H3,(H,37,45)(H,38,46)/t5-,6-,17+,18+,19+,20+,21-,22-,27+,28+/m1/s1 | | Definition date: | 2016-03-18 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside |
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 | | 6FG | | Name: | 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one | | Formula: | C11 H15 N O2 | | SMILES: | O=C(N1CCCC1)CCc2ccoc2 | | InChi: | InChI=1S/C11H15NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h5,8-9H,1-4,6-7H2 | | Definition date: | 2016-03-30 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one |
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 | | 6FR | | Name: | 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine | | Formula: | C11 H21 N O2 S | | SMILES: | O=S(CCC1CCCC1)(=O)N2CCCC2 | | InChi: | InChI=1S/C11H21NO2S/c13-15(14,12-8-3-4-9-12)10-7-11-5-1-2-6-11/h11H,1-10H2 | | Definition date: | 2016-03-31 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine |
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 | | 6LJ | | Name: | 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile | | Formula: | C24 H26 N4 | | SMILES: | C1CCN(CC1)CCCNc4c2c(cccc2)nc(c3ccccc3C#N)c4 | | InChi: | InChI=1S/C24H26N4/c25-18-19-9-2-3-10-20(19)24-17-23(21-11-4-5-12-22(21)27-24)26-13-8-16-28-14-6-1-7-15-28/h2-5,9-12,17H,1,6-8,13-16H2,(H,26,27) | | Definition date: | 2016-05-02 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile |
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 | | 6PX | | Name: | methyl N-[4-amino-3-(L-arginylamino)benzene-1-carbonyl]-L-tyrosinate | | Formula: | C23 H31 N7 O5 | | SMILES: | C(CCCNC(N)=N)(C(Nc1c(N)ccc(c1)C(NC(C(=O)OC)Cc2ccc(cc2)O)=O)=O)N | | InChi: | InChI=1S/C23H31N7O5/c1-35-22(34)19(11-13-4-7-15(31)8-5-13)30-20(32)14-6-9-16(24)18(12-14)29-21(33)17(25)3-2-10-28-23(26)27/h4-9,12,17,19,31H,2-3,10-11,24-25H2,1H3,(H,29,33)(H,30,32)(H4,26,27,28)/t17-,19-/m0/s1 | | Definition date: | 2016-05-19 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | methyl N-[4-amino-3-(L-arginylamino)benzene-1-carbonyl]-L-tyrosinate |
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 | | 6Q2 | | Name: | 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one | | Formula: | C21 H19 N3 O2 | | SMILES: | c1(cccc(OC)c1)Nc4c2C(=O)NCCc2nc(c3ccccc3)c4 | | InChi: | InChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24) | | Definition date: | 2016-05-19 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one |
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 | | 3Y7 | | Name: | 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine | | Formula: | C10 H12 N4 O2 | | SMILES: | n1onc2c(ccc(c12)N)N3CCOCC3 | | InChi: | InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2 | | Definition date: | 2014-12-10 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine |
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 | | JNI | | Name: | ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine | | Formula: | C31 H30 N8 | | SMILES: | Nc1nccc(n1)N(Cc2ccccc2)c3ccccc3c4cccc(c4)c5cnc(nc5)N6CCNCC6 | | InChi: | InChI=1S/C31H30N8/c32-30-34-14-13-29(37-30)39(22-23-7-2-1-3-8-23)28-12-5-4-11-27(28)25-10-6-9-24(19-25)26-20-35-31(36-21-26)38-17-15-33-16-18-38/h1-14,19-21,33H,15-18,22H2,(H2,32,34,37) | | Definition date: | 2017-01-12 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine |
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 | | 8Q4 | | Name: | 2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate | | Formula: | C20 H21 Cl N2 O4 | | SMILES: | CC(c1cccc(C(=C)C)c1)(C)NC(=O)Nc2cc(OC(=O)O)c(cc2)Cl | | InChi: | InChI=1S/C20H21ClN2O4/c1-12(2)13-6-5-7-14(10-13)20(3,4)23-18(24)22-15-8-9-16(21)17(11-15)27-19(25)26/h5-11H,1H2,2-4H3,(H,25,26)(H2,22,23,24) | | Definition date: | 2017-02-28 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate |
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 | | 8Q8 | | Name: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide | | Formula: | C27 H31 N5 O3 | | SMILES: | CC(C)(N)[CH](N[CH]1CCc2cc(ccc12)C#Cc3ccc(Cn4ccnc4CO)cc3)C(=O)NO | | InChi: | InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25-/m1/s1 | | Definition date: | 2017-02-23 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide |
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 | | 8R4 | | Name: | 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid | | Formula: | C25 H21 N O3 | | SMILES: | c1(c(C(O)=O)ccc(c1)c2coc3ncc(cc23)c4ccccc4)C5CCCC5 | | InChi: | InChI=1S/C25H21NO3/c27-25(28)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-29-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,27,28) | | Definition date: | 2017-03-03 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid |
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 | | 8SH | | Name: | (2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol | | Formula: | C15 H25 O3 P S | | SMILES: | CCO[P](=O)(OCC)[CH](CS)CCCc1ccccc1 | | InChi: | InChI=1S/C15H25O3PS/c1-3-17-19(16,18-4-2)15(13-20)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,20H,3-4,8,11-13H2,1-2H3/t15-/m1/s1 | | Definition date: | 2016-12-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol |
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 | | 8V4 | | Name: | N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide | | Formula: | C10 H11 N3 O2 | | SMILES: | n1(CC)cc(cn1)NC(=O)c2ccoc2 | | InChi: | InChI=1S/C10H11N3O2/c1-2-13-6-9(5-11-13)12-10(14)8-3-4-15-7-8/h3-7H,2H2,1H3,(H,12,14) | | Definition date: | 2017-03-06 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide |
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 | | 8V7 | | Name: | 2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide | | Formula: | C14 H14 N6 O S | | SMILES: | c3n(c(c2nc(C(=O)Nc1ncccc1)cs2)nn3)C(C)C | | InChi: | InChI=1S/C14H14N6OS/c1-9(2)20-8-16-19-12(20)14-17-10(7-22-14)13(21)18-11-5-3-4-6-15-11/h3-9H,1-2H3,(H,15,18,21) | | Definition date: | 2017-03-06 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide |
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 | | UUN | | Name: | N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide | | Formula: | C12 H11 N3 O3 S | | SMILES: | C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(NO)=O | | InChi: | InChI=1S/C12H11N3O3S/c16-10-6-9(8-4-2-1-3-5-8)13-12(14-10)19-7-11(17)15-18/h1-6,18H,7H2,(H,15,17)(H,13,14,16) | | Definition date: | 2016-03-16 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
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 | | 8E1 | | Name: | 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide | | Formula: | C16 H12 N4 O3 S2 | | SMILES: | c1cc(ccc1S(=O)(=O)N)NC=C4c2c(ccc3ncsc23)NC4=O | | InChi: | InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)/b11-7- | | Definition date: | 2017-01-26 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide |
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 | | 8G1 | | Name: | (3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile | | Formula: | C26 H18 Cl F N4 O4 | | SMILES: | C=51C(CCN(C1=O)Cc2ccc(c(c2)Cl)F)=C6C(=O)NC3(CCc4c3c(C#N)ccc4)N6C(C=5O)=O | | InChi: | InChI=1S/C26H18ClFN4O4/c27-17-10-13(4-5-18(17)28)12-31-9-7-16-19(24(31)35)22(33)25(36)32-21(16)23(34)30-26(32)8-6-14-2-1-3-15(11-29)20(14)26/h1-5,10,33H,6-9,12H2,(H,30,34)/t26-/m1/s1 | | Definition date: | 2017-02-03 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile |
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 | | 8G4 | | Name: | (1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione | | Formula: | C28 H24 Cl F N4 O6 | | SMILES: | Fc1ccc(cc1Cl)CN2C(C=7C(CC2)=C3N(C6(N(C3=O)CCN4C(C=CC4=O)=O)C5CC5CC6)C(=O)C=7O)=O | | InChi: | InChI=1S/C28H24ClFN4O6/c29-18-11-14(1-2-19(18)30)13-31-8-6-16-22(25(31)38)24(37)27(40)34-23(16)26(39)33(28(34)7-5-15-12-17(15)28)10-9-32-20(35)3-4-21(32)36/h1-4,11,15,17,37H,5-10,12-13H2/t15-,17+,28+/m1/s1 | | Definition date: | 2017-02-03 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione |
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 | | 8GJ | | Name: | (2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Formula: | C18 H21 F N2 O6 S | | SMILES: | C2(c1ccc(cc1F)OC)=CC(N(C=C2)CCC(C)(S(C)(=O)=O)C(NO)=O)=O | | InChi: | InChI=1S/C18H21FN2O6S/c1-18(17(23)20-24,28(3,25)26)7-9-21-8-6-12(10-16(21)22)14-5-4-13(27-2)11-15(14)19/h4-6,8,10-11,24H,7,9H2,1-3H3,(H,20,23)/t18-/m1/s1 | | Definition date: | 2017-02-04 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide |
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 | | 8KW | | Name: | 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol | | Formula: | C15 H16 O3 | | SMILES: | COc1cc(O)cc(CCc2ccccc2O)c1 | | InChi: | InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3 | | Definition date: | 2017-02-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol |
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