 | | O0M | | Name: | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol | | Formula: | C15 H23 N O | | SMILES: | c1c(C(C)C)ccc(c1)CN2CCC(O)CC2 | | InChi: | InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3 | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol |
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 | | O0P | | Name: | N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide | | Formula: | C8 H11 F N2 O2 S | | SMILES: | NS(N(C)Cc1cc(ccc1)F)(=O)=O | | InChi: | InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13) | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide |
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 | | O0V | | Name: | (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol | | Formula: | C9 H13 F N2 O | | SMILES: | n1c(N(C(C)CO)C)c(ccc1)F | | InChi: | InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1 | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol |
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 | | O0Y | | Name: | 3-(diethylamino)phenol | | Formula: | C10 H15 N O | | SMILES: | c1(N(CC)CC)cccc(c1)O | | InChi: | InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3 | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 3-(diethylamino)phenol |
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 | | LVV | | Name: | 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide | | Formula: | C12 H17 N O2 S | | SMILES: | Cc1ccc(CN2CC[S](=O)(=O)CC2)cc1 | | InChi: | InChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3 | | Definition date: | 2019-03-15 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide |
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 | | KDJ | | Name: | (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid | | Formula: | C8 H19 F2 N O24 P6 | | SMILES: | N(C(C(P(O)(O)=O)(F)F)=O)C1C(C(C(C(C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(=O)O)OP(O)(=O)O)OP(O)(O)=O | | InChi: | InChI=1S/C8H19F2NO24P6/c9-8(10,36(13,14)15)7(12)11-1-2(31-37(16,17)18)4(33-39(22,23)24)6(35-41(28,29)30)5(34-40(25,26)27)3(1)32-38(19,20)21/h1-6H,(H,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t1-,2-,3+,4+,5-,6+ | | Definition date: | 2018-11-26 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid |
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 | | O1A | | Name: | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide | | Formula: | C13 H19 N3 O | | SMILES: | N1(CCN(CC1)C)c2ccc(cc2)NC(C)=O | | InChi: | InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17) | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide |
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 | | O1D | | Name: | 3-(benzyloxy)aniline | | Formula: | C13 H13 N O | | SMILES: | c2(OCc1ccccc1)cc(N)ccc2 | | InChi: | InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2 | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 3-(benzyloxy)aniline |
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 | | O1J | | Name: | (benzyloxy)acetic acid | | Formula: | C9 H10 O3 | | SMILES: | c1ccccc1COCC(=O)O | | InChi: | InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (benzyloxy)acetic acid |
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 | | O1M | | Name: | 4-(4-fluorophenyl)piperazine-1-carboxamide | | Formula: | C11 H14 F N3 O | | SMILES: | N2(C(N)=O)CCN(c1ccc(cc1)F)CC2 | | InChi: | InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16) | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-(4-fluorophenyl)piperazine-1-carboxamide |
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 | | O2D | | Name: | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide | | Formula: | C10 H16 N4 O | | SMILES: | N(C(CC1CCCCC1)=O)n2cnnc2 | | InChi: | InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15) | | Definition date: | 2019-06-05 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide |
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 | | O2M | | Name: | N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide | | Formula: | C9 H10 N4 O S | | SMILES: | N(Cc1nc(C)cs1)C(=O)c2nncc2 | | InChi: | InChI=1S/C9H10N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13) | | Definition date: | 2019-06-05 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide |
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 | | O2P | | Name: | N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide | | Formula: | C15 H15 N O2 | | SMILES: | N(c1ccc(cc1O)C)C(=O)c2ccccc2C | | InChi: | InChI=1S/C15H15NO2/c1-10-7-8-13(14(17)9-10)16-15(18)12-6-4-3-5-11(12)2/h3-9,17H,1-2H3,(H,16,18) | | Definition date: | 2019-06-05 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide |
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 | | O3D | | Name: | 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione | | Formula: | C9 H13 N O3 S | | SMILES: | N1(CCS(CC1)(=O)=O)Cc2ccco2 | | InChi: | InChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2 | | Definition date: | 2019-06-06 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione |
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 | | O3G | | Name: | N-benzyl-1-(4-fluorophenyl)methanamine | | Formula: | C14 H14 F N | | SMILES: | N(Cc1ccc(F)cc1)Cc2ccccc2 | | InChi: | InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2 | | Definition date: | 2019-06-06 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-benzyl-1-(4-fluorophenyl)methanamine |
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 | | O3J | | Name: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one | | Formula: | C15 H22 N2 O | | SMILES: | N2(CCCc1ccccc1)CCN(C(C)=O)CC2 | | InChi: | InChI=1S/C15H22N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3 | | Definition date: | 2019-06-06 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one |
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 | | O3M | | Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol | | Formula: | C16 H17 N O | | SMILES: | C(N1CCc2c(C1)cccc2)c3ccc(cc3)O | | InChi: | InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2 | | Definition date: | 2019-06-06 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol |
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 | | OJ4 | | Name: | 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide | | Formula: | C18 H24 N2 O8 S2 Te | | SMILES: | c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S(N)(=O)=O | | InChi: | InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26)/t13-,14+ | | Definition date: | 2019-06-25 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide |
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 | | G1Z | | Name: | 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one | | Formula: | C14 H14 F3 N3 O2 S | | SMILES: | ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F | | InChi: | InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-6-9-11(10(7-8)19-22)23-13(18-12(9)21)20-4-2-1-3-5-20/h6-7,19,22H,1-5H2 | | Definition date: | 2018-08-22 | | Last modified: | 2019-08-13 | | Release date: | 2018-09-19 | | Identifier: | 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one |
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 | | FWT | | Name: | p-sulfonatocalix[8]arene | | Formula: | C56 H40 O32 S8 | | SMILES: | Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc1cc(c2)[S]([O-])(=O)=O)c9O)[S]([O-])(=O)=O)c8O)[S]([O-])(=O)=O)c7O)[S]([O-])(=O)=O)c6O)[S]([O-])(=O)=O)c5O)[S]([O-])(=O)=O)c4O)[S]([O-])(=O)=O)c3O)[S]([O-])(=O)=O | | InChi: | InChI=1S/C56H48O32S8/c57-49-25-1-26-10-42(90(68,69)70)12-28(50(26)58)3-30-14-44(92(74,75)76)16-32(52(30)60)5-34-18-46(94(80,81)82)20-36(54(34)62)7-38-22-48(96(86,87)88)24-40(56(38)64)8-39-23-47(95(83,84)85)21-37(55(39)63)6-35-19-45(93(77,78)79)17-33(53(35)61)4-31-15-43(91(71,72)73)13-29(51(31)59)2-27(49)11-41(9-25)89(65,66)67/h9-24,57-64H,1-8H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)/p-8 | | Definition date: | 2018-08-08 | | Last modified: | 2019-08-13 | | Release date: | 2019-02-13 |
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 | | LRB | | Name: | LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II) | | Formula: | C50 H57 N7 O Ru | | SMILES: | O=C(NC3C1CC2CC(C1)CC3C2)CCCCCCCCc%12cc%11c4n(ccc(c4)C)[Ru+2]7%10(n5ccccc5c6ccccn67)(n8ccccc8c9ccccn9%10)n%11cc%12 | | InChi: | InChI=1S/C30H41N3O.2C10H8N2.Ru/c1-21-10-12-31-27(14-21)28-20-22(11-13-32-28)8-6-4-2-3-5-7-9-29(34)33-30-25-16-23-15-24(18-25)19-26(30)17-23 | | Definition date: | 1999-10-06 | | Last modified: | 2019-08-13 | | Identifier: | bis[1H,1'H-2,2'-bipyridinato(2-)-kappa~2~N~1~,N~1'~][9-(4'-methyl-1H,1'H-2,2'-bipyridin-4-yl-kappa~2~N~1~,N~1'~)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]nonanamidato(2-)]ruthenium(2+) |
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 | | SYT | | Name: | (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium | | Formula: | C20 H20 N O4 | | SMILES: | C[N+]34Cc2c1c(OCO1)ccc2CC3c5c(CC4)cc6c(c5)OCO6 | | InChi: | InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1 | | Definition date: | 2019-05-29 | | Last modified: | 2019-08-09 | | Release date: | 2019-08-14 | | Identifier: | (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium |
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 | | 9U3 | | Name: | N,N,N',N'-tetramethylethane-1,2-diamine | | Formula: | C6 H16 N2 | | SMILES: | CN(C)CCN(C)C | | InChi: | InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3 | | Definition date: | 2018-07-31 | | Last modified: | 2019-08-09 | | Release date: | 2019-08-14 | | Identifier: | N~1~,N~1~,N~2~,N~2~-tetramethylethane-1,2-diamine |
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 | | 9WO | | Name: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide | | Formula: | C22 H22 N6 O | | SMILES: | c2c1ccccc1nc2C(NC3CCCN(C3)c4cc(nn4)c5ccncc5)=O | | InChi: | InChI=1S/C22H22N6O/c29-22(20-12-16-4-1-2-6-18(16)25-20)24-17-5-3-11-28(14-17)21-13-19(26-27-21)15-7-9-23-10-8-15/h1-2,4,6-10,12-13,17,25H,3,5,11,14H2,(H,24,29)(H,26,27)/t17-/m0/s1 | | Definition date: | 2018-08-22 | | Last modified: | 2019-08-09 | | Release date: | 2019-08-14 | | Identifier: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide |
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 | | A8U | | Name: | propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate | | Formula: | C28 H32 N4 O3 | | SMILES: | CCCOC(=O)N1CCN(C[CH]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(N)CC5 | | InChi: | InChI=1S/C28H32N4O3/c1-3-16-35-27(34)32-15-14-31(18-19(32)2)26(33)22-5-4-21-8-11-24(30-25(21)17-22)20-6-9-23(10-7-20)28(29)12-13-28/h4-11,17,19H,3,12-16,18,29H2,1-2H3/t19-/m1/s1 | | Definition date: | 2018-10-20 | | Last modified: | 2019-08-09 | | Release date: | 2019-08-14 | | Identifier: | propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate |
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