 | | JA8 | | Name: | 5-bromanyl-1,3-benzothiazol-2-amine | | Formula: | C7 H5 Br N2 S | | SMILES: | Nc1sc2ccc(Br)cc2n1 | | InChi: | InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 5-bromanyl-1,3-benzothiazol-2-amine |
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 | | JAB | | Name: | 1,2-oxazole-5-carbothioamide | | Formula: | C4 H4 N2 O S | | SMILES: | NC(=S)c1oncc1 | | InChi: | InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 1,2-oxazole-5-carbothioamide |
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 | | JAE | | Name: | 1,3-benzothiazol-6-amine | | Formula: | C7 H6 N2 S | | SMILES: | Nc1ccc2ncsc2c1 | | InChi: | InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 1,3-benzothiazol-6-amine |
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 | | JAH | | Name: | (6-phenylpyridin-3-yl)methanamine | | Formula: | C12 H12 N2 | | SMILES: | NCc1ccc(nc1)c2ccccc2 | | InChi: | InChI=1S/C12H12N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8,13H2 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | (6-phenylpyridin-3-yl)methanamine |
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 | | JB5 | | Name: | quinoxalin-6-amine | | Formula: | C8 H7 N3 | | SMILES: | Nc1ccc2nccnc2c1 | | InChi: | InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | quinoxalin-6-amine |
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 | | JB8 | | Name: | 1~{H}-indol-6-ylboronic acid | | Formula: | C8 H8 B N O2 | | SMILES: | OB(O)c1ccc2cc[nH]c2c1 | | InChi: | InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 1~{H}-indol-6-ylboronic acid |
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 | | JBE | | Name: | 3-nitropyridin-2-amine | | Formula: | C5 H5 N3 O2 | | SMILES: | Nc1ncccc1[N+]([O-])=O | | InChi: | InChI=1S/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 3-nitropyridin-2-amine |
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 | | JBH | | Name: | 3,4-dihydroquinazolin-4-ol | | Formula: | C8 H8 N2 O | | SMILES: | O[CH]1NC=Nc2ccccc12 | | InChi: | InChI=1S/C8H8N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5,8,11H,(H,9,10)/t8-/m1/s1 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 3,4-dihydroquinazolin-4-ol |
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 | | JBK | | Name: | 2-azanyl-3-nitro-phenol | | Formula: | C6 H6 N2 O3 | | SMILES: | Nc1c(O)cccc1[N+]([O-])=O | | InChi: | InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 2-azanyl-3-nitro-phenol |
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 | | JBQ | | Name: | 5-fluoranyl-3,4-dihydroquinazolin-4-ol | | Formula: | C8 H7 F N2 O | | SMILES: | O[CH]1NC=Nc2cccc(F)c12 | | InChi: | InChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4,8,12H,(H,10,11)/t8-/m0/s1 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 5-fluoranyl-3,4-dihydroquinazolin-4-ol |
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 | | JBZ | | Name: | 6-methoxy-1,3-benzothiazole-2-carboxylic acid | | Formula: | C9 H7 N O3 S | | SMILES: | COc1ccc2nc(sc2c1)C(O)=O | | InChi: | InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 6-methoxy-1,3-benzothiazole-2-carboxylic acid |
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 | | O45 | | Name: | 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid | | Formula: | C6 H9 N O4 | | SMILES: | CC(=C)CONC(=O)C(O)=O | | InChi: | InChI=1S/C6H9NO4/c1-4(2)3-11-7-5(8)6(9)10/h1,3H2,2H3,(H,7,8)(H,9,10) | | Definition date: | 2020-01-29 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid |
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 | | QX1 | | Name: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine | | Formula: | C26 H30 N6 O2 | | SMILES: | c24c(c1ccc(c(c1)OC)OC)cnn2c(c(c3ccccc3)c(n4)NC5CCN(C)CC5)N | | InChi: | InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30) | | Definition date: | 2020-01-10 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine |
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 | | RU3 | | Name: | ruthenium(6+) formate azanide tetraamino(formato-kappaO)oxidoruthenate(1-) (1/1/4/1) | | Formula: | C2 H18 N8 O5 Ru2 | | SMILES: | N[Ru](O[Ru](N)(N)(N)(N)OC=O)(N)(N)(N)OC=O | | InChi: | InChI=1S/2CH2O2.8H2N.O.2Ru/c2*2-1-3 | | Definition date: | 2019-11-26 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | ruthenium(6+) formate azanide tetraamino(formato-kappaO)oxidoruthenate(1-) (1/1/4/1) |
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 | | SHN | | Name: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid | | Formula: | C42 H46 N4 O16 | | SMILES: | C4(C)(c5cc1nc(c(c1CC(O)=O)CCC(O)=O)cc2C(=C(c(n2)cc3nc(C(C)(C3CCC(=O)O)CC(O)=O)cc(C4CCC(O)=O)n5)CC(O)=O)CCC(=O)O)CC(O)=O | | InChi: | InChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b25-13-,29-14-,31-15-,32-16-/t23?,24?,41-,42-/m0/s1 | | Definition date: | 2019-06-20 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
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 | | OOY | | Name: | N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide | | Formula: | C27 H29 N3 O4 | | SMILES: | c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5 | | InChi: | InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31) | | Definition date: | 2019-07-02 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide |
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 | | OQJ | | Name: | N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide | | Formula: | C22 H17 Cl N4 O3 S | | SMILES: | c1cc(c(cc1Cl)NC(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC | | InChi: | InChI=1S/C22H17ClN4O3S/c1-30-18-10-7-14(23)11-17(18)25-21(29)24-15-8-9-16-19(12-15)31-22(26-16)27-20(28)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25,29)(H,26,27,28) | | Definition date: | 2019-07-02 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide |
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 | | OQM | | Name: | 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide | | Formula: | C21 H17 F3 N6 O | | SMILES: | c3(c1cnccc1)nc2nc(c(c(C)n2n3)CC(=O)Nc4cc(ccc4)C(F)(F)F)C | | InChi: | InChI=1S/C21H17F3N6O/c1-12-17(10-18(31)27-16-7-3-6-15(9-16)21(22,23)24)13(2)30-20(26-12)28-19(29-30)14-5-4-8-25-11-14/h3-9,11H,10H2,1-2H3,(H,27,31) | | Definition date: | 2019-07-02 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
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 | | OQS | | Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide | | Formula: | C21 H15 Cl F3 N5 O3 | | SMILES: | c4c(n3ncc2C(N(CC(Nc1c(ccc(C(F)(F)F)c1)Cl)=O)C=Nc23)=O)ccc(c4)OC | | InChi: | InChI=1S/C21H15ClF3N5O3/c1-33-14-5-3-13(4-6-14)30-19-15(9-27-30)20(32)29(11-26-19)10-18(31)28-17-8-12(21(23,24)25)2-7-16(17)22/h2-9,11H,10H2,1H3,(H,28,31) | | Definition date: | 2019-07-02 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide |
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 | | RLG | | Name: | (4R)-1-methyl-4-phenylpyrrolidin-2-one | | Formula: | C11 H13 N O | | SMILES: | CN1CC(CC1=O)c2ccccc2 | | InChi: | InChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1 | | Definition date: | 2020-02-17 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | (4R)-1-methyl-4-phenylpyrrolidin-2-one |
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 | | RLS | | Name: | (4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one | | Formula: | C16 H22 N2 O3 S | | SMILES: | CN1C(CC(C1)c2ccc(cc2)S(N3CCCCC3)(=O)=O)=O | | InChi: | InChI=1S/C16H22N2O3S/c1-17-12-14(11-16(17)19)13-5-7-15(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-12H2,1H3/t14-/m0/s1 | | Definition date: | 2020-02-17 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | (4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one |
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 | | RLV | | Name: | 4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide | | Formula: | C14 H20 N2 O3 S | | SMILES: | CN2C(CC(c1ccc(S(NCCC)(=O)=O)cc1)C2)=O | | InChi: | InChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)13-6-4-11(5-7-13)12-9-14(17)16(2)10-12/h4-7,12,15H,3,8-10H2,1-2H3/t12-/m0/s1 | | Definition date: | 2020-02-17 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide |
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 | | RLY | | Name: | N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide | | Formula: | C23 H30 N2 O5 S | | SMILES: | c3(ccc(C1CN(C)C(C1)=O)c(c2cc(c(cc2)OC)OC)c3)S(N(CC)CC)(=O)=O | | InChi: | InChI=1S/C23H30N2O5S/c1-6-25(7-2)31(27,28)18-9-10-19(17-13-23(26)24(3)15-17)20(14-18)16-8-11-21(29-4)22(12-16)30-5/h8-12,14,17H,6-7,13,15H2,1-5H3/t17-/m1/s1 | | Definition date: | 2020-02-17 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide |
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 | | MX8 | | Name: | 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide | | Formula: | C18 H28 N2 O4 | | SMILES: | CCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(=O)NO | | InChi: | InChI=1S/C18H28N2O4/c1-4-5-6-7-12-24-15-10-8-14(9-11-15)17(21)19-16(13(2)3)18(22)20-23/h8-11,13,16,23H,4-7,12H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1 | | Definition date: | 2019-10-28 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide |
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 | | N6W | | Name: | benzo[b][1]benzazepine-11-carboxamide | | Formula: | C15 H12 N2 O | | SMILES: | NC(=O)N1c2ccccc2C=Cc3ccccc13 | | InChi: | InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) | | Definition date: | 2019-11-14 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | benzo[b][1]benzazepine-11-carboxamide |
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