 | | 1CD | | Name: | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25
),18,20-HEPTAENE-23,26-DIONE | | Formula: | C22 H21 N5 O3 | | SMILES: | O=C5Nc3cccc4OC6CN(CCN2Nc1c(cccc1C2=O)C5=Nc34)C(C)C6 | | InChi: | InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1 | | Synonyms: | 5H,10H-17,19-(IMINOMETHANO)-4,6:9,12-DIMETHANODIBENZ[B,F][1,4,8,9,12]OXATETRAAZACYCLOPENTADECINE-20,23-DIONE,7,8,11,12-
TETRAHYDRO-10-METHYL-,(10R,12S) | | Definition date: | 2006-06-21 | | Last modified: | 2020-06-17 | | Identifier: | (13R,15S)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.1~6,9~.1~12,15~.0~2,7~.0~21,25~]heptacosa-1(24),2,4,6,17(25),18,20-heptaene-23,27-dione (non-preferred name) |
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 | | HY0 | | Name: | HYGROMYCIN B VARIANT | | Formula: | C20 H37 N3 O13 | | SMILES: | O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO | | InChi: | InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1 | | Synonyms: | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azanyl-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)
-1-azanyl-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',
7-tetrol | | Definition date: | 2010-11-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) |
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 | | I1P | | Name: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | | Formula: | C21 H24 N8 O2 S | | SMILES: | O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34 | | InChi: | InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27) | | Synonyms: | N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | | Definition date: | 2003-11-11 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
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 | | IY1 | | Name: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile | | Formula: | C19 H12 N4 O3 | | SMILES: | N#CC=2C(=O)N(c1ccc(cc1)[N+](=O)[O-])c3c(C=2)n(C)c4c3cccc4 | | InChi: | InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3 | | Synonyms: | Indopy-1 | | Definition date: | 2019-03-14 | | Last modified: | 2020-06-17 | | Release date: | 2019-10-23 | | Identifier: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile |
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 | | Z7F | | Name: | trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid | | Formula: | C33 H32 Cl F2 N O6 S | | SMILES: | c2(OCc1c(cccc1F)Cl)cc3c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O)O)S(c6ccc(cc6)F)(=O)=O | | InChi: | InChI=1S/C33H32ClF2NO6S/c34-28-2-1-3-29(36)26(28)19-43-24-11-14-27-22(18-24)8-15-30-33(27,44(41,42)25-12-9-23(35)10-13-25)16-17-37(30)31(38)20-4-6-21(7-5-20)32(39)40/h1-3,9-14,18,20-21,30H,4-8,15-17,19H2,(H,39,40)/t20-,21-,30-,33-/m1/s1 | | Definition date: | 2020-06-05 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid |
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 | | X33 | | Name: | Carborane inhibitor | | Formula: | C5 H8 B10 N O2 S | | SMILES: | N[S](=O)(=O)CCC[C++]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C+]3%15%18[B]47%14%16 | | InChi: | InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-4-6(5)8(4)9(4)7(4,5)11(5)10(5,6)12(6,8)14(8,9)13(7,9,11)15(10,11,12)14/h1-3H2,(H2,16,17,18)/q+3 | | Definition date: | 2019-10-23 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 |
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 | | MYW | | Name: | Nidocarborane | | Formula: | C5 H8 B9 N O2 S | | SMILES: | N[S](=O)(=O)CCC[C+]123[B]45[B+]67[B-]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15 | | InChi: | InChI=1S/C5H8B9NO2S/c15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12/h1-3H2,(H2,15,16,17)/q+1 | | Definition date: | 2019-10-29 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 |
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 | | HEO | | Name: | HEME O | | Formula: | C49 H58 Fe N4 O5 | | SMILES: | [Fe]321N4C5=CC8=[N+]1C(=Cc7n2c(C=C6[N+]3=C(C=C4C(=C5CCC(=O)O)C)C(=C6C(O)CCC=C(/CCC=C(CCC=C(C)C)C)C)C)c(c7C=C)C)C(=C8CCC(=O)O)C | | InChi: | InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40 | | Definition date: | 2000-09-28 | | Last modified: | 2020-06-11 | | Identifier: | [3,3'-{7-ethenyl-12-[(1S,4Z,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}di(propanoato)(2-)]iron(2+) |
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 | | R3Y | | Name: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione | | Formula: | C23 H21 Cl F N3 O3 S | | SMILES: | Cc4cc(Cl)cc(c2ccnc3cc(CN1C(CCC1=O)=O)sc23)c4OC5CNCC5F | | InChi: | InChI=1S/C23H21ClFN3O3S/c1-12-6-13(24)7-16(22(12)31-19-10-26-9-17(19)25)15-4-5-27-18-8-14(32-23(15)18)11-28-20(29)2-3-21(28)30/h4-8,17,19,26H,2-3,9-11H2,1H3/t17-,19+/m0/s1 | | Definition date: | 2020-01-29 | | Last modified: | 2020-06-08 | | Release date: | 2020-04-29 | | Identifier: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}pyrrolidine-2,5-dione |
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 | | R44 | | Name: | 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione | | Formula: | C25 H23 Cl N4 O4 S | | SMILES: | c1(Cl)cc(c2c(c1)CC(O2)C(N3CCNCC3)=O)c5ccnc6cc(CN4C(=O)CCC4=O)sc56 | | InChi: | InChI=1S/C25H23ClN4O4S/c26-15-9-14-10-20(25(33)29-7-5-27-6-8-29)34-23(14)18(11-15)17-3-4-28-19-12-16(35-24(17)19)13-30-21(31)1-2-22(30)32/h3-4,9,11-12,20,27H,1-2,5-8,10,13H2/t20-/m1/s1 | | Definition date: | 2020-01-29 | | Last modified: | 2020-06-08 | | Release date: | 2020-04-29 | | Identifier: | 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione |
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 | | NTQ | | Name: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide | | Formula: | C17 H20 F2 N4 O2 | | SMILES: | Cc1[nH]nc2NC(=O)C=C([CH]3CC[CH](CC3)NC(=O)[CH]4CC4(F)F)c12 | | InChi: | InChI=1S/C17H20F2N4O2/c1-8-14-11(6-13(24)21-15(14)23-22-8)9-2-4-10(5-3-9)20-16(25)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H,20,25)(H2,21,22,23,24)/t9-,10-,12-/m0/s1 | | Definition date: | 2019-12-13 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide |
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 | | NTW | | Name: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile | | Formula: | C15 H18 N4 O | | SMILES: | Cc1n[nH]c2NC(=O)C=C([CH]3CC[CH](CC3)CC#N)c12 | | InChi: | InChI=1S/C15H18N4O/c1-9-14-12(8-13(20)17-15(14)19-18-9)11-4-2-10(3-5-11)6-7-16/h8,10-11H,2-6H2,1H3,(H2,17,18,19,20)/t10-,11- | | Definition date: | 2019-12-13 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile |
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 | | PJW | | Name: | benzo[b][1]benziodole | | Formula: | C12 H8 I | | SMILES: | [I]1c2ccccc2c3ccccc13 | | InChi: | InChI=1S/C12H9I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H | | Definition date: | 2020-04-23 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | benzo[b][1]benziodole |
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 | | QZ8 | | Name: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one | | Formula: | C13 H11 N3 O | | SMILES: | Cc1[nH]nc2NC(=O)C=C(c3ccccc3)c12 | | InChi: | InChI=1S/C13H11N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-7H,1H3,(H2,14,15,16,17) | | Definition date: | 2019-12-13 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one |
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 | | U0A | | Name: | 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide | | Formula: | C22 H19 N3 O4 S2 | | SMILES: | c14c(cc(cc1)C(=O)NCCc2ccc(cc2)S(N)(=O)=O)NC(c3ccccc3S4)=O | | InChi: | InChI=1S/C22H19N3O4S2/c23-31(28,29)16-8-5-14(6-9-16)11-12-24-21(26)15-7-10-20-18(13-15)25-22(27)17-3-1-2-4-19(17)30-20/h1-10,13H,11-12H2,(H,24,26)(H,25,27)(H2,23,28,29) | | Definition date: | 2020-04-06 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
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 | | N0Z | | Name: | 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol | | Formula: | C10 H9 N5 O | | SMILES: | Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1 | | InChi: | InChI=1S/C10H9N5O/c11-8-7-5-3-4(16)1-2-6(5)13-9(7)15-10(12)14-8/h1-3,16H,(H5,11,12,13,14,15) | | Definition date: | 2019-11-05 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol |
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 | | N4K | | Name: | 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole | | Formula: | C27 H32 N4 O2 S | | SMILES: | Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(OC5CCNCC5)cc4)C6CCC6 | | InChi: | InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3 | | Definition date: | 2019-11-11 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole |
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 | | P30 | | Name: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea | | Formula: | C29 H32 N6 O4 S | | SMILES: | O=C(Nc1noc(c1)C(C)(C)C)Nc6ccc(c4nc5sc3c(ccc(OCCN2CCOCC2)c3)n5c4)cc6 | | InChi: | InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | | Synonyms: | Quizartinib | | Definition date: | 2014-11-14 | | Last modified: | 2020-05-27 | | Release date: | 2015-04-15 | | Identifier: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea |
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 | | CIA | | Name: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE | | Formula: | C22 H19 N3 O4 | | SMILES: | O=C1N(C)CC(=O)N6C1Cc3c2ccccc2nc3C6c4ccc5OCOc5c4 | | InChi: | InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | | Synonyms: | TADALAFIL | | Definition date: | 2003-05-08 | | Last modified: | 2020-05-27 | | Identifier: | (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione |
|
 | | CP0 | | Name: | (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE | | Formula: | C33 H38 N4 O6 | | SMILES: | O=C7OCC=6C(=O)N2C(c1nc5c(c(c1C2)CC)cc(OC(=O)N4CCC(N3CCCCC3)CC4)cc5)=CC=6C7(O)CC | | InChi: | InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1 | | Synonyms: | IRINOTECAN | | Definition date: | 2004-08-02 | | Last modified: | 2020-05-27 | | Identifier: | (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate |
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 | | SCM | | Name: | SPECTINOMYCIN | | Formula: | C14 H24 N2 O7 | | SMILES: | O=C1C2(OC3C(NC)C(O)C(NC)C(O)C3OC2OC(C1)C)O | | InChi: | InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1 | | Synonyms: | ACTINOSPECTACIN | | Definition date: | 2000-08-25 | | Last modified: | 2020-05-27 | | Identifier: | (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one |
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 | | EOD | | Name: | 11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACID | | Formula: | C18 H34 O3 | | SMILES: | O=C(O)CCCCCCCCCCC1OC1CCCCC | | InChi: | InChI=1S/C18H34O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1 | | Synonyms: | (+-)-CIS-12,13-EPOXY-9(Z)-OCTADECANOIC ACID | | Definition date: | 2006-04-03 | | Last modified: | 2020-05-27 | | Identifier: | 11-[(2R,3S)-3-pentyloxiran-2-yl]undecanoic acid |
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 | | HRM | | Name: | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | | Formula: | C13 H12 N2 O | | SMILES: | n3ccc2c1c(cc(OC)cc1)nc2c3C | | InChi: | InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | | Synonyms: | 7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]INDOL | | Definition date: | 2007-07-25 | | Last modified: | 2020-05-27 | | Identifier: | 7-methoxy-1-methyl-9H-beta-carboline |
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 | | HYG | | Name: | HYGROMYCIN B | | Formula: | C20 H37 N3 O13 | | SMILES: | O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO | | InChi: | InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1 | | Synonyms: | HYGROMIX | | Definition date: | 2000-12-15 | | Last modified: | 2020-05-27 | | Identifier: | (2R,3'R,3aR,4S,4'R,5'R,6R,6'S,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) |
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 | | VJK | | Name: | (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide | | Formula: | C18 H19 F3 N6 O | | SMILES: | C(C(Nc1ccnc(n1)c2cnc3c2cccn3)(C)C(NCC(F)(F)F)=O)C | | InChi: | InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1 | | Synonyms: | Decernotinib | | Definition date: | 2015-03-20 | | Last modified: | 2020-05-26 | | Release date: | 2015-08-12 | | Identifier: | N~2~-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-D-isovalinamide |
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