 | | WRD | | Name: | (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol | | Formula: | C10 H13 N O | | SMILES: | NC2CCCc1c(cccc12)O | | InChi: | InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol |
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 | | S9H | | Name: | 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one | | Formula: | C21 H20 N4 O2 | | SMILES: | COc1ccc(Nc2nccc(n2)c3ccc4NC(=O)CCCc4c3)cc1 | | InChi: | InChI=1S/C21H20N4O2/c1-27-17-8-6-16(7-9-17)23-21-22-12-11-19(25-21)15-5-10-18-14(13-15)3-2-4-20(26)24-18/h5-13H,2-4H2,1H3,(H,24,26)(H,22,23,25) | | Definition date: | 2020-11-12 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one |
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 | | S9K | | Name: | 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one | | Formula: | C20 H18 N4 O | | SMILES: | O=C1CCCc2cc(ccc2N1)c3ccnc(Nc4ccccc4)n3 | | InChi: | InChI=1S/C20H18N4O/c25-19-8-4-5-14-13-15(9-10-17(14)23-19)18-11-12-21-20(24-18)22-16-6-2-1-3-7-16/h1-3,6-7,9-13H,4-5,8H2,(H,23,25)(H,21,22,24) | | Definition date: | 2020-11-12 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one |
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 | | W1J | | Name: | N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide | | Formula: | C9 H11 N5 O2 | | SMILES: | n2nc(NC(=O)c1ccco1)nn2CCC | | InChi: | InChI=1S/C9H11N5O2/c1-2-5-14-12-9(11-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,12,15) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide |
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 | | W1S | | Name: | (8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide | | Formula: | C8 H11 N3 O | | SMILES: | n21CCCC(c1ncc2)C(=O)N | | InChi: | InChI=1S/C8H11N3O/c9-7(12)6-2-1-4-11-5-3-10-8(6)11/h3,5-6H,1-2,4H2,(H2,9,12)/t6-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide |
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 | | W27 | | Name: | 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one | | Formula: | C12 H14 N2 O | | SMILES: | n1cccc2c1CC3CCC2N3C(=O)C | | InChi: | InChI=1S/C12H14N2O/c1-8(15)14-9-4-5-12(14)10-3-2-6-13-11(10)7-9/h2-3,6,9,12H,4-5,7H2,1H3/t9-,12+/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one |
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 | | W3J | | Name: | 1,4,5,6-tetrahydropyrimidin-2-amine | | Formula: | C4 H9 N3 | | SMILES: | N1C(N)=NCCC1 | | InChi: | InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1,4,5,6-tetrahydropyrimidin-2-amine |
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 | | W41 | | Name: | 6-chlorotetrazolo[1,5-b]pyridazine | | Formula: | C4 H2 Cl N5 | | SMILES: | n2nc1n(nc(Cl)cc1)n2 | | InChi: | InChI=1S/C4H2ClN5/c5-3-1-2-4-6-8-9-10(4)7-3/h1-2H | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 6-chlorotetrazolo[1,5-b]pyridazine |
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 | | TJS | | Name: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid | | Formula: | C9 H10 N2 O3 | | SMILES: | C1CCCC2=C1NC(N=C2C(O)=O)=O | | InChi: | InChI=1S/C9H10N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14) | | Definition date: | 2020-03-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid |
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 | | D7I | | Name: | 5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate | | Formula: | C14 H20 O26 P6 | | SMILES: | O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1OCCOc2cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc2O[P](O)(O)=O | | InChi: | InChI=1S/C14H20O26P6/c15-41(16,17)35-9-5-13(39-45(27,28)29)11(37-43(21,22)23)3-7(9)33-1-2-34-8-4-12(38-44(24,25)26)14(40-46(30,31)32)6-10(8)36-42(18,19)20/h3-6H,1-2H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32) | | Definition date: | 2019-09-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | [2,4-diphosphonooxy-5-[2-(2,4,5-triphosphonooxyphenoxy)ethoxy]phenyl] dihydrogen phosphate |
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 | | R3H | | Name: | tetrakis(oxidanyl)titanium | | Formula: | H4 O4 Ti | | SMILES: | O[Ti](O)(O)O | | InChi: | InChI=1S/4H2O.Ti/h4*1H2 | | Definition date: | 2020-08-27 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | tetrakis(oxidanyl)titanium |
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 | | WZ6 | | Name: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid | | Formula: | C27 H31 F3 N2 O4 | | SMILES: | CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(O)=O)C(C)(C)CCC2(C)C | | InChi: | InChI=1S/C27H31F3N2O4/c1-6-35-11-12-36-22-15-18-17(25(2,3)9-10-26(18,4)5)14-21(22)32-20-8-7-16(23(33)34)13-19(20)31-24(32)27(28,29)30/h7-8,13-15H,6,9-12H2,1-5H3,(H,33,34) | | Definition date: | 2020-06-30 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid |
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 | | QU7 | | Name: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol | | Formula: | C28 H34 O | | SMILES: | C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC | | InChi: | InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1 | | Synonyms: | SS-RJW100 | | Definition date: | 2019-12-20 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol |
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 | | RXN | | Name: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide | | Formula: | C24 H22 Cl N5 O4 | | SMILES: | CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O | | InChi: | InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1 | | Synonyms: | 6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide | | Definition date: | 2020-10-31 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide |
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 | | W4Y | | Name: | 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | | Formula: | C11 H15 N3 O2 S | | SMILES: | C1(=O)NC(N(CCOC(C)C)c2ccnc12)=S | | InChi: | InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | W4V | | Name: | 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine | | Formula: | C8 H9 N5 | | SMILES: | n3n2c(c1CCCc1nc2nc3)N | | InChi: | InChI=1S/C8H9N5/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3,9H2 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine |
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 | | L2Z | | Name: | ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Formula: | C23 H27 N3 O6 S | | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CC5(COC5)C4 | | InChi: | InChI=1S/C23H27N3O6S/c1-14-20-16(5-3-4-6-18(20)27)21(24-14)22(28)25-17-9-15(7-8-19(17)31-2)33(29,30)26-10-23(11-26)12-32-13-23/h7-9,24H,3-6,10-13H2,1-2H3,(H,25,28) | | Definition date: | 2019-07-17 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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 | | DS9 | | Name: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one | | Formula: | C16 H15 F N4 O | | SMILES: | C[C]12CCCN1CC3=NNC(=O)c4cc(F)cc5[nH]c2c3c45 | | InChi: | InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1 | | Definition date: | 2019-08-23 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 |
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 | | VCJ | | Name: | tetrakis(4-fluorophenyl)phosphanium | | Formula: | C24 H16 F4 P | | SMILES: | c1c(ccc(c1)F)[P+](c2ccc(cc2)F)(c3ccc(F)cc3)c4ccc(cc4)F | | InChi: | InChI=1S/C24H16F4P/c25-17-1-9-21(10-2-17)29(22-11-3-18(26)4-12-22,23-13-5-19(27)6-14-23)24-15-7-20(28)8-16-24/h1-16H/q+1 | | Definition date: | 2020-07-28 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | tetrakis(4-fluorophenyl)phosphanium |
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 | | VUJ | | Name: | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one | | Formula: | C23 H29 N3 O | | SMILES: | C3N(CCN(C1C=CC(CC1)c2cc(C)ccc2)C3)CC=4C=CC(NC=4)=O | | InChi: | InChI=1S/C23H29N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-6,8,10,15-16,20,22H,7,9,11-14,17H2,1H3,(H,24,27)/t20-,22+/m0/s1 | | Definition date: | 2020-09-16 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one |
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 | | KUH | | Name: | ~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Formula: | C22 H29 N3 O5 S | | SMILES: | CCN(CC)[S](=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1 | | InChi: | InChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)15-11-12-19(30-4)17(13-15)24-22(27)21-16-9-7-8-10-18(26)20(16)14(3)23-21/h11-13,23H,5-10H2,1-4H3,(H,24,27) | | Definition date: | 2019-06-27 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | ~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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 | | KXK | | Name: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Formula: | C24 H31 N3 O5 S | | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCCC4 | | InChi: | InChI=1S/C24H31N3O5S/c1-16-22-18(9-5-6-10-20(22)28)23(25-16)24(29)26-19-15-17(11-12-21(19)32-2)33(30,31)27-13-7-3-4-8-14-27/h11-12,15,25H,3-10,13-14H2,1-2H3,(H,26,29) | | Definition date: | 2019-07-03 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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 | | L25 | | Name: | ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Formula: | C22 H27 N3 O6 S | | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOCC4 | | InChi: | InChI=1S/C22H27N3O6S/c1-14-20-16(5-3-4-6-18(20)26)21(23-14)22(27)24-17-13-15(7-8-19(17)30-2)32(28,29)25-9-11-31-12-10-25/h7-8,13,23H,3-6,9-12H2,1-2H3,(H,24,27) | | Definition date: | 2019-07-16 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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 | | L2N | | Name: | ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Formula: | C23 H30 N4 O5 S | | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCN(C)CC4 | | InChi: | InChI=1S/C23H30N4O5S/c1-15-21-17(6-4-5-7-19(21)28)22(24-15)23(29)25-18-14-16(8-9-20(18)32-3)33(30,31)27-12-10-26(2)11-13-27/h8-9,14,24H,4-7,10-13H2,1-3H3,(H,25,29) | | Definition date: | 2019-07-16 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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 | | L2W | | Name: | ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Formula: | C23 H29 N3 O5 S | | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCC4 | | InChi: | InChI=1S/C23H29N3O5S/c1-15-21-17(8-4-5-9-19(21)27)22(24-15)23(28)25-18-14-16(10-11-20(18)31-2)32(29,30)26-12-6-3-7-13-26/h10-11,14,24H,3-9,12-13H2,1-2H3,(H,25,28) | | Definition date: | 2019-07-17 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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