 | | IGQ | | Name: | (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide | | Formula: | C16 H16 N2 O2 | | SMILES: | O=C(Nc1noc2CCCCc12)[CH]3Cc4ccccc34 | | InChi: | InChI=1S/C16H16N2O2/c19-16(13-9-10-5-1-2-6-11(10)13)17-15-12-7-3-4-8-14(12)20-18-15/h1-2,5-6,13H,3-4,7-9H2,(H,17,18,19)/t13-/m1/s1 | | Definition date: | 2022-03-18 | | Last modified: | 2023-03-17 | | Release date: | 2023-03-22 | | Identifier: | (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide |
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 | | VA0 | | Name: | Rifamycin S | | Formula: | C37 H45 N O12 | | SMILES: | CC(=O)OC1C(C)C(OC)C=COC2(C)Oc3c(C)c(O)c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C1C | | InChi: | InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10?,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 | | Synonyms: | (2S,12Z,14Z,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate | | Definition date: | 2022-08-18 | | Last modified: | 2023-03-10 | | Release date: | 2023-03-15 | | Identifier: | (2S,12Z,14Z,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate |
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 | | M2I | | Name: | [(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone | | Formula: | C17 H12 F3 N5 O | | SMILES: | FC(F)(F)c1cccc(c1)C(=O)N1CC(c2nnn[NH]2)c2ccccc12 | | InChi: | InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-4-10(8-11)16(26)25-9-13(15-21-23-24-22-15)12-6-1-2-7-14(12)25/h1-8,13H,9H2,(H,21,22,23,24)/t13-/m1/s1 | | Definition date: | 2022-03-11 | | Last modified: | 2023-03-10 | | Release date: | 2023-03-15 | | Identifier: | [(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone |
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 | | M53 | | Name: | tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate | | Formula: | C23 H22 F3 N7 O4 | | SMILES: | O=C(Nc1nnn[NH]1)C1(NC(=O)OC(C)(C)C)CN(C(=O)c2cccc(c2)C(F)(F)F)c2ccccc21 | | InChi: | InChI=1S/C23H22F3N7O4/c1-21(2,3)37-20(36)28-22(18(35)27-19-29-31-32-30-19)12-33(16-10-5-4-9-15(16)22)17(34)13-7-6-8-14(11-13)23(24,25)26/h4-11H,12H2,1-3H3,(H,28,36)(H2,27,29,30,31,32,35)/t22-/m0/s1 | | Definition date: | 2022-03-14 | | Last modified: | 2023-03-10 | | Release date: | 2023-03-15 | | Identifier: | tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate |
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 | | M63 | | Name: | (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide | | Formula: | C42 H49 Cl N8 O6 S | | SMILES: | NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCC(=O)Nc4ccc(CC(NS(=O)(=O)c5cccc(Cl)c5)C(=O)N1)cc4)CC3)cc2 | | InChi: | InChI=1S/C42H49ClN8O6S/c43-33-2-1-3-36(26-33)58(56,57)49-38-25-30-10-14-35(15-11-30)47-40(53)17-19-51-22-20-50(21-23-51)18-16-39(52)46-34-12-8-29(9-13-34)24-37(48-42(38)55)41(54)45-28-32-6-4-31(27-44)5-7-32/h1-15,26,37-38,49H,16-25,27-28,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t37-,38+/m0/s1 | | Definition date: | 2022-03-14 | | Last modified: | 2023-03-10 | | Release date: | 2023-03-15 | | Identifier: | (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide |
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 | | TO0 | | Name: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form | | Formula: | C61 H79 N13 O7 | | SMILES: | CC(NC)C(=O)NC(C1CCCCC1)C(=O)N1CC(CC1C(=O)NC1CCCc2ccccc21)NC(=O)COCCN1CCN(CC1)CC=CC(=O)N1CCCC(C1)n1nc(c2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1 | | InChi: | InChI=1S/C61H79N13O7/c1-41(63-2)59(77)68-56(43-15-5-3-6-16-43)61(79)73-37-45(36-51(73)60(78)67-50-22-11-17-42-14-9-10-21-49(42)50)66-52(75)39-80-35-34-71-32-30-70(31-33-71)28-13-23-53(76)72-29-12-18-46(38-72)74-58-54(57(62)64-40-65-58)55(69-74)44-24-26-48(27-25-44)81-47-19-7-4-8-20-47/h4,7-10,13-14,19-21,23-27,40-41,43,45-46,50-51,56,63H,3,5-6,11-12,15-18,22,28-39H2,1-2H3,(H,66,75)(H,67,78)(H,68,77)(H2,62,64,65)/b23-13+/t41-,45-,46+,50+,51-,56-/m0/s1 | | Definition date: | 2022-07-27 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide |
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 | | WMK | | Name: | (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name) | | Formula: | C11 H15 N3 O7 | | SMILES: | NC=1NC23C(O)C4OC5(O)OC(C2C(OC35)N=1)C4(O)CO | | InChi: | InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2-,3+,4-,5+,6+,7+,9+,10-,11+/m1/s1 | | Synonyms: | 4,9-anhydro-tetrodotoxin | | Definition date: | 2022-09-29 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-ene-2,4,12-triol (non-preferred name) |
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 | | WIH | | Name: | 5-(4-methoxyphenyl)-1H-tetrazole | | Formula: | C8 H8 N4 O | | SMILES: | COc1ccc(cc1)c1nnn[NH]1 | | InChi: | InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) | | Definition date: | 2022-09-13 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | 5-(4-methoxyphenyl)-1H-tetrazole |
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 | | WIK | | Name: | (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole | | Formula: | C14 H12 N4 | | SMILES: | Cc1ccc(cc1)c1ccccc1c1nnn[NH]1 | | InChi: | InChI=1S/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18) | | Definition date: | 2022-09-13 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole |
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 | | WJK | | Name: | (2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine | | Formula: | C23 H22 N6 O | | SMILES: | CCC1CN(Cc2ccc(cc2)c2ccccc2c2nnn[NH]2)c2ncccc2O1 | | InChi: | InChI=1S/C23H22N6O/c1-2-18-15-29(23-21(30-18)8-5-13-24-23)14-16-9-11-17(12-10-16)19-6-3-4-7-20(19)22-25-27-28-26-22/h3-13,18H,2,14-15H2,1H3,(H,25,26,27,28)/t18-/m0/s1 | | Definition date: | 2022-09-14 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | (2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine |
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 | | JOU | | Name: | (2R,5R)-2-[(1S)-1-[2-(cyanomethylsulfanyl)ethanoylamino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C15 H19 N7 O6 S3 | | SMILES: | CO[C](NC(=O)CSCC#N)([CH]1SC[CH](CSc2nnnn2C)C(=N1)C(O)=O)C(O)=O | | InChi: | InChI=1S/C15H19N7O6S3/c1-22-14(19-20-21-22)31-6-8-5-30-12(17-10(8)11(24)25)15(28-2,13(26)27)18-9(23)7-29-4-3-16/h8,12H,4-7H2,1-2H3,(H,18,23)(H,24,25)(H,26,27)/t8-,12-,15-/m1/s1 | | Synonyms: | hydrolysed cefmetazole | | Definition date: | 2022-05-06 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | (2~{R},5~{R})-2-[(1~{S})-1-[2-(cyanomethylsulfanyl)ethanoylamino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
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 | | NZ0 | | Name: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide | | Formula: | C13 H12 N6 O3 S | | SMILES: | OCc1ccc(cc1)c1ccnc(c1c1n[NH]nn1)S(N)(=O)=O | | InChi: | InChI=1S/C13H12N6O3S/c14-23(21,22)13-11(12-16-18-19-17-12)10(5-6-15-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19) | | Definition date: | 2022-04-14 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide |
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 | | NZR | | Name: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide | | Formula: | C14 H13 N5 O2 S | | SMILES: | Cc1ccc(cc1)c1cccc(c1c1n[NH]nn1)S(N)(=O)=O | | InChi: | InChI=1S/C14H13N5O2S/c1-9-5-7-10(8-6-9)11-3-2-4-12(22(15,20)21)13(11)14-16-18-19-17-14/h2-8H,1H3,(H2,15,20,21)(H,16,17,18,19) | | Definition date: | 2022-04-14 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
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 | | O0F | | Name: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide | | Formula: | C7 H9 N7 O4 S2 | | SMILES: | NS(=O)(=O)c1cc(c(cc1N)c1n[NH]nn1)S(N)(=O)=O | | InChi: | InChI=1S/C7H9N7O4S2/c8-4-1-3(7-11-13-14-12-7)5(19(9,15)16)2-6(4)20(10,17)18/h1-2H,8H2,(H2,9,15,16)(H2,10,17,18)(H,11,12,13,14) | | Definition date: | 2022-04-14 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide |
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 | | O0L | | Name: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol | | Formula: | C14 H12 N4 O2 | | SMILES: | OCc1ccc(cc1)c1cccc(O)c1c1nnn[NH]1 | | InChi: | InChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18) | | Definition date: | 2022-04-14 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol |
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 | | 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-) |
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 | | 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 |
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 | | WJT | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol | | Formula: | C25 H30 N4 O6 S | | SMILES: | CS(=O)(=O)c1cc(cc(c1)NCc1ccc(cc1)CN1CC(O)C(O)C(O)C1CO)c1cccnn1 | | InChi: | InChI=1S/C25H30N4O6S/c1-36(34,35)20-10-18(21-3-2-8-27-28-21)9-19(11-20)26-12-16-4-6-17(7-5-16)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1 | | Definition date: | 2022-09-16 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol |
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 | | 7Q8 | | Name: | 16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine | | Formula: | C13 H13 Cl In N4 S | | SMILES: | CN(C)C(=NN=Cc1ccc2ccccc2n1)S[In]Cl | | InChi: | InChI=1S/C13H14N4S.ClH.In/c1-17(2)13(18)16-14-9-11-8-7-10-5-3-4-6-12(10)15-11 | | Definition date: | 2022-02-24 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine |
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 | | R0I | | Name: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene] | | Formula: | C24 H26 N7 Pt | | SMILES: | Cn1c(c[n+](C)c1[Pt++]2(C)N3C(=CC=C4C=CC5=CC=C(C)N2C5=C34)C)c6[nH]nnc6.C=C | | InChi: | InChI=1S/C14H12N2.C7H9N5.C2H2.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9 | | Definition date: | 2022-11-21 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene] |
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 | | 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 |
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 | | XZF | | Name: | Polythiazide | | Formula: | C11 H13 Cl F3 N3 O4 S3 | | SMILES: | NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)N(C)S2(=O)=O)cc1Cl | | InChi: | InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m0/s1 | | Synonyms: | (3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide | | Definition date: | 2022-12-15 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide |
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 | | Y05 | | Name: | N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | | Formula: | C41 H38 Cl F6 N9 O5 S | | SMILES: | CC1CN(CC(C)O1)c1cc2N=C(C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)C3CC34)N(c3ccc(Cl)c4c(NS(C)(=O)=O)nn(C)c43)C(=O)c2cc1 | | InChi: | InChI=1S/C41H38ClF6N9O5S/c1-18-15-55(16-19(2)62-18)23-5-6-24-28(13-23)50-39(57(40(24)59)30-8-7-27(42)33-35(30)54(3)52-38(33)53-63(4,60)61)29(11-20-9-21(43)12-22(44)10-20)49-31(58)17-56-36-32(34(51-56)37(45)46)25-14-26(25)41(36,47)48/h5-10,12-13,18-19,25-26,29,37H,11,14-17H2,1-4H3,(H,49,58)(H,52,53)/t18-,19+,25-,26+,29-/m0/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide |
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 | | KNX | | Name: | 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine | | Formula: | C27 H36 Cl2 N8 O5 | | SMILES: | O=C(O)C(N)CCN(CCCCC1CNCc2c1ccc(Cl)c2Cl)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C27H36Cl2N8O5/c28-17-5-4-15-14(9-32-10-16(15)20(17)29)3-1-2-7-36(8-6-18(30)27(40)41)11-19-22(38)23(39)26(42-19)37-13-35-21-24(31)33-12-34-25(21)37/h4-5,12-14,18-19,22-23,26,32,38-39H,1-3,6-11,30H2,(H,40,41)(H2,31,33,34)/t14-,18-,19+,22+,23+,26+/m0/s1 | | Definition date: | 2022-02-08 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine |
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 | | NQF | | Name: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide | | Formula: | C23 H24 N4 O3 | | SMILES: | NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C | | InChi: | InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m1/s1 | | Definition date: | 2022-04-07 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide |
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