 | | XO5 | | Name: | (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione | | Formula: | C22 H32 F N3 O3 S | | SMILES: | Fc1cc2CN3CCN(C(=O)CC4CC4)C(CCCCCS(=O)(=O)Nc(c1)c2C)C3 | | InChi: | InChI=1S/C22H32FN3O3S/c1-16-18-12-19(23)13-21(16)24-30(28,29)10-4-2-3-5-20-15-25(14-18)8-9-26(20)22(27)11-17-6-7-17/h12-13,17,20,24H,2-11,14-15H2,1H3/t20-/m0/s1 | | Definition date: | 2022-11-30 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione |
|
 | | Y8C | | Name: | N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide | | Formula: | C19 H21 Cl N6 O | | SMILES: | Clc1cccc(c1)NCC(=O)NC1CCCN(C1)c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C19H21ClN6O/c20-13-3-1-4-14(9-13)22-10-17(27)25-15-5-2-8-26(11-15)19-16-6-7-21-18(16)23-12-24-19/h1,3-4,6-7,9,12,15,22H,2,5,8,10-11H2,(H,25,27)(H,21,23,24)/t15-/m1/s1 | | Definition date: | 2023-01-11 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide |
|
 | | Y7W | | Name: | pirtobrutinib | | Formula: | C22 H21 F4 N5 O3 | | SMILES: | FC(F)(F)C(C)n1nc(c2ccc(CNC(=O)c3cc(F)ccc3OC)cc2)c(c1N)C(N)=O | | InChi: | InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1 | | Synonyms: | 5-amino-3-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrazole-4-carboxamide | | Definition date: | 2023-01-11 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | 5-amino-3-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrazole-4-carboxamide |
|
 | | Y8H | | Name: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one | | Formula: | C21 H24 Cl2 N6 O | | SMILES: | O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCCC(C1)N(C)c1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C21H24Cl2N6O/c1-28(21-18-5-6-24-20(18)26-13-27-21)17-4-2-3-7-29(12-17)19(30)11-25-16-9-14(22)8-15(23)10-16/h5-6,8-10,13,17,25H,2-4,7,11-12H2,1H3,(H,24,26,27)/t17-/m1/s1 | | Definition date: | 2023-01-11 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one |
|
 | | YGW | | Name: | N-(4-{3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-oxopropoxy}phenyl)methanesulfonamide | | Formula: | C20 H23 F2 N3 O4 S | | SMILES: | O=C(CN1CCN(CC1)c1ccc(F)c(F)c1)COc1ccc(NS(C)(=O)=O)cc1 | | InChi: | InChI=1S/C20H23F2N3O4S/c1-30(27,28)23-15-2-5-18(6-3-15)29-14-17(26)13-24-8-10-25(11-9-24)16-4-7-19(21)20(22)12-16/h2-7,12,23H,8-11,13-14H2,1H3 | | Definition date: | 2023-02-02 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | N-(4-{3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-oxopropoxy}phenyl)methanesulfonamide |
|
 | | IYF | | Name: | 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine | | Formula: | C20 H22 Cl N5 O | | SMILES: | CCc1cc(O)cc2c(c[nH]c12)C=NNC(=N)NCCc3ccc(Cl)cc3 | | InChi: | InChI=1S/C20H22ClN5O/c1-2-14-9-17(27)10-18-15(11-24-19(14)18)12-25-26-20(22)23-8-7-13-3-5-16(21)6-4-13/h3-6,9-12,24,27H,2,7-8H2,1H3,(H3,22,23,26)/b25-12+ | | Definition date: | 2022-08-03 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1~{H}-indol-3-yl)methylideneamino]guanidine |
|
 | | IYM | | Name: | [(1S)-7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-yl-methanone | | Formula: | C28 H35 N3 O5 | | SMILES: | CCOc1cc2[CH](CCc3c[nH]c4ccc(OC)cc34)N(CCc2cc1OC)C(=O)N5CCOCC5 | | InChi: | InChI=1S/C28H35N3O5/c1-4-36-27-17-23-19(15-26(27)34-3)9-10-31(28(32)30-11-13-35-14-12-30)25(23)8-5-20-18-29-24-7-6-21(33-2)16-22(20)24/h6-7,15-18,25,29H,4-5,8-14H2,1-3H3/t25-/m0/s1 | | Definition date: | 2022-08-03 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | [(1~{S})-7-ethoxy-6-methoxy-1-[2-(5-methoxy-1~{H}-indol-3-yl)ethyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]-morpholin-4-yl-methanone |
|
 | | L2L | | Name: | aminomethanesulfonic acid | | Formula: | C H5 N O3 S | | SMILES: | NCS(=O)(=O)O | | InChi: | InChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5) | | Definition date: | 2022-02-25 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | aminomethanesulfonic acid |
|
 | | L9I | | Name: | ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate | | Formula: | C6 H9 N O4 | | SMILES: | CCOC(=O)C(=NO)C(C)=O | | InChi: | InChI=1S/C6H9NO4/c1-3-11-6(9)5(7-10)4(2)8/h10H,3H2,1-2H3/b7-5- | | Definition date: | 2022-06-29 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate |
|
 | | M4F | | Name: | 4-(trifluoromethoxy)benzoic acid | | Formula: | C8 H5 F3 O3 | | SMILES: | FC(F)(F)Oc1ccc(cc1)C(=O)O | | InChi: | InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) | | Definition date: | 2022-03-11 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | 4-(trifluoromethoxy)benzoic acid |
|
 | | NT3 | | Name: | Nitroprusside ion | | Formula: | C5 H Fe N6 O | | SMILES: | [Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[OH+] | | InChi: | InChI=1S/5CN.Fe.HNO/c5*1-2 | | Definition date: | 2022-09-05 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 |
|
 | | O8I | | Name: | ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate | | Formula: | C7 H11 N O4 | | SMILES: | CCOC(=O)C(=NO)C(=O)CC | | InChi: | InChI=1S/C7H11NO4/c1-3-5(9)6(8-11)7(10)12-4-2/h11H,3-4H2,1-2H3/b8-6- | | Synonyms: | ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate | | Definition date: | 2022-08-30 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate |
|
 | | O8R | | Name: | 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate | | Formula: | C7 H11 N O5 | | SMILES: | COCCOC(=O)C(=NO)C(C)=O | | InChi: | InChI=1S/C7H11NO5/c1-5(9)6(8-11)7(10)13-4-3-12-2/h11H,3-4H2,1-2H3/b8-6- | | Synonyms: | 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate | | Definition date: | 2022-08-30 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate |
|
 | | ODU | | Name: | tetranitro-nitroso-oxidanyl-ruthenium(2-) | | Formula: | H N5 O10 Ru | | SMILES: | O[Ru--](N=O)([N+]([O-])=O)([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O | | InChi: | InChI=1S/4NO2.NO.H2O.Ru/c4*2-1-3 | | Synonyms: | hydroxy-tetranitro-nitrosyl-ruthenate | | Definition date: | 2022-09-05 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | tetranitro-nitroso-oxidanyl-ruthenium(2-) |
|
 | | FZC | | Name: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine | | Formula: | C25 H26 Cl N5 O2 | | SMILES: | Cc1ccnc(Oc2ccc(c(Cl)c2)c3cc4[nH]nc(C)c4c(O[CH]5CCC[CH](N)C5)c3)n1 | | InChi: | InChI=1S/C25H26ClN5O2/c1-14-8-9-28-25(29-14)33-19-6-7-20(21(26)13-19)16-10-22-24(15(2)30-31-22)23(11-16)32-18-5-3-4-17(27)12-18/h6-11,13,17-18H,3-5,12,27H2,1-2H3,(H,30,31)/t17-,18+/m1/s1 | | Definition date: | 2022-04-30 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine |
|
 | | GIK | | Name: | ~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide | | Formula: | C21 H23 Cl N4 O2 | | SMILES: | CC(=O)N[CH]1CC[CH](CC1)Oc2cc(cc3[nH]nc(C)c23)c4ccncc4Cl | | InChi: | InChI=1S/C21H23ClN4O2/c1-12-21-19(26-25-12)9-14(17-7-8-23-11-18(17)22)10-20(21)28-16-5-3-15(4-6-16)24-13(2)27/h7-11,15-16H,3-6H2,1-2H3,(H,24,27)(H,25,26)/t15-,16- | | Definition date: | 2022-05-10 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | ~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide |
|
 | | 51B | | Name: | (6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol | | Formula: | C19 H22 N6 O S | | SMILES: | CNc1ncc(cn1)CN1CCCC(C1)c1nc(O)cc(n1)c1cccs1 | | InChi: | InChI=1S/C19H22N6OS/c1-20-19-21-9-13(10-22-19)11-25-6-2-4-14(12-25)18-23-15(8-17(26)24-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,20,21,22)(H,23,24,26)/t14-/m0/s1 | | Definition date: | 2015-07-08 | | Last modified: | 2023-02-21 | | Release date: | 2015-10-07 | | Identifier: | (6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol |
|
 | | TXV | | Name: | ~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide | | Formula: | C25 H17 Cl F2 N4 O2 | | SMILES: | CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(F)c(c2F)C(=O)c3c[nH]c4ncc(Cl)cc34 | | InChi: | InChI=1S/C25H17ClF2N4O2/c1-25(2,12-29)14-5-3-4-13(8-14)24(34)32-19-7-6-18(27)20(21(19)28)22(33)17-11-31-23-16(17)9-15(26)10-30-23/h3-11H,1-2H3,(H,30,31)(H,32,34) | | Definition date: | 2023-01-18 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | ~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide |
|
 | | YOH | | Name: | N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine | | Formula: | C25 H44 N6 O2 | | SMILES: | CN(C)CCCCCCNc1nc(nc2cc(OC)c(cc21)OC)NCCCCCN(C)C | | InChi: | InChI=1S/C25H44N6O2/c1-30(2)16-12-8-7-10-14-26-24-20-18-22(32-5)23(33-6)19-21(20)28-25(29-24)27-15-11-9-13-17-31(3)4/h18-19H,7-17H2,1-6H3,(H2,26,27,28,29) | | Definition date: | 2023-02-14 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine |
|
 | | YOO | | Name: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide | | Formula: | C24 H31 N3 O4 S | | SMILES: | O=S(=O)(c1ccc(NC(=O)c2cc(cc(OC)c2)C2CCN(C)CC2)cc1)N1CCCC1 | | InChi: | InChI=1S/C24H31N3O4S/c1-26-13-9-18(10-14-26)19-15-20(17-22(16-19)31-2)24(28)25-21-5-7-23(8-6-21)32(29,30)27-11-3-4-12-27/h5-8,15-18H,3-4,9-14H2,1-2H3,(H,25,28) | | Definition date: | 2023-02-15 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide |
|
 | | WZU | | Name: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione | | Formula: | C18 H22 N6 O3 | | SMILES: | O=C1NCCCNC(=O)OC2CC(CC2)c2cc(n[NH]2)Nc2cccc1n2 | | InChi: | InChI=1S/C18H22N6O3/c25-17-13-3-1-4-15(21-13)22-16-10-14(23-24-16)11-5-6-12(9-11)27-18(26)20-8-2-7-19-17/h1,3-4,10-12H,2,5-9H2,(H,19,25)(H,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | | Definition date: | 2022-10-25 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3,6(25),19,21-pentaene-12,18-dione |
|
 | | WZZ | | Name: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate | | Formula: | C17 H23 N5 O2 | | SMILES: | CC(C)NC(=O)OC1CCC(C1)c1cc(Nc2ncccc2)n[NH]1 | | InChi: | InChI=1S/C17H23N5O2/c1-11(2)19-17(23)24-13-7-6-12(9-13)14-10-16(22-21-14)20-15-5-3-4-8-18-15/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,19,23)(H2,18,20,21,22)/t12-,13+/m0/s1 | | Definition date: | 2022-10-25 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate |
|
 | | WJF | | Name: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C24 H29 Cl N4 O5 | | SMILES: | OCC1C(O)C(O)C(O)CN1CCc1ccc(cc1)CCNc1cc(Cl)cc(c1)c1ncon1 | | InChi: | InChI=1S/C24H29ClN4O5/c25-18-9-17(24-27-14-34-28-24)10-19(11-18)26-7-5-15-1-3-16(4-2-15)6-8-29-12-21(31)23(33)22(32)20(29)13-30/h1-4,9-11,14,20-23,26,30-33H,5-8,12-13H2/t20-,21+,22-,23-/m1/s1 | | Definition date: | 2022-09-14 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol |
|
 | | WJO | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol | | Formula: | C24 H33 N3 O5 | | SMILES: | OCC1C(O)C(O)C(O)CN1Cc1ccc(cc1)CNc1ccc(cc1)N1CCOCC1 | | InChi: | InChI=1S/C24H33N3O5/c28-16-21-23(30)24(31)22(29)15-27(21)14-18-3-1-17(2-4-18)13-25-19-5-7-20(8-6-19)26-9-11-32-12-10-26/h1-8,21-25,28-31H,9-16H2/t21-,22+,23-,24-/m1/s1 | | Definition date: | 2022-09-15 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol |
|
 | | I6U | | Name: | (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide | | Formula: | C19 H20 N4 O4 S | | SMILES: | N[S](=O)(=O)c1ccc(NC(=O)N2C[CH]3N(CCc4ccccc34)C(=O)C2)cc1 | | InChi: | InChI=1S/C19H20N4O4S/c20-28(26,27)15-7-5-14(6-8-15)21-19(25)22-11-17-16-4-2-1-3-13(16)9-10-23(17)18(24)12-22/h1-8,17H,9-12H2,(H,21,25)(H2,20,26,27)/t17-/m0/s1 | | Definition date: | 2022-02-15 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide |
|
