 | | A1IGX | | Name: | 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | Formula: | C14 H15 N5 | | SMILES: | Cc1nnc2ccc(NCCc3ccccc3)nn12 | | InChi: | InChI=1S/C14H15N5/c1-11-16-17-14-8-7-13(18-19(11)14)15-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,15,18) | | Definition date: | 2024-07-02 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
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 | | Y7K | | Name: | (2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol | | Formula: | C22 H41 N3 O8 | | SMILES: | CC1OC2OC3C(OC2(O)C(O)(CNCCC2CCOCC2)C1)C(NC)C(O)C(NC)C3O | | InChi: | InChI=1S/C22H41N3O8/c1-12-10-21(28,11-25-7-4-13-5-8-30-9-6-13)22(29)20(31-12)32-19-17(27)14(23-2)16(26)15(24-3)18(19)33-22/h12-20,23-29H,4-11H2,1-3H3/t12-,14-,15+,16+,17+,18-,19-,20+,21-,22-/m1/s1 | | Definition date: | 2023-11-26 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | (2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol |
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 | | VZO | | Name: | N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide | | Formula: | C27 H34 N8 O3 | | SMILES: | COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N | | InChi: | InChI=1S/C27H34N8O3/c1-18(2)35-16-21(27(37)32-25-12-22(29-5-10-38-4)20(13-28)14-30-25)26-24(35)11-19(23(17-36)31-26)15-34-8-6-33(3)7-9-34/h11-12,14,16-18H,5-10,15H2,1-4H3,(H2,29,30,32,37) | | Definition date: | 2023-09-07 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | ~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide |
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 | | A1L0C | | Name: | [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl]oxy-[(1~{R})-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]-$l^{3}-oxidanyl-oxidanyl-boron | | Formula: | C18 H33 B N5 O5 | | SMILES: | CC(C)C[CH](NC(=O)c1cn(nn1)C2CCCCC2)[B](O)(O)O[CH](C)[CH](N)C=O | | InChi: | InChI=1S/C18H33BN5O5/c1-12(2)9-17(19(27,28)29-13(3)15(20)11-25)21-18(26)16-10-24(23-22-16)14-7-5-4-6-8-14/h10-15,17,27-28H,4-9,20H2,1-3H3,(H,21,26)/t13-,15-,17+/m1/s1 | | Definition date: | 2024-04-09 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl]oxy-[(1~{R})-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]-bis(oxidanyl)boron |
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 | | A1L0D | | Name: | [(2~{R},3~{R})-3-azanyl-4-oxidanyl-butan-2-yl]oxy-[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]-$l^{3}-oxidanyl-oxidanyl-boron | | Formula: | C20 H38 B N5 O5 | | SMILES: | C[CH](O[B-](O)([OH2+])[CH](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3)[CH](N)CO | | InChi: | InChI=1S/C20H38BN5O5/c1-14(17(22)13-27)31-21(29,30)19(15-8-4-2-5-9-15)23-20(28)18-12-26(25-24-18)16-10-6-3-7-11-16/h12,14-17,19,27,29H,2-11,13,22,30H2,1H3,(H,23,28)/t14-,17-,19+/m1/s1 | | Definition date: | 2024-04-09 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | [(2~{R},3~{R})-3-azanyl-4-oxidanyl-butan-2-yl]oxy-[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]-$l^{3}-oxidanyl-oxidanyl-boron |
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 | | A1H8F | | Name: | N-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide | | Formula: | C18 H24 Cl N3 O | | SMILES: | CCCC(=O)NCCCN1CCc2c(C1)[nH]c3ccc(Cl)cc23 | | InChi: | InChI=1S/C18H24ClN3O/c1-2-4-18(23)20-8-3-9-22-10-7-14-15-11-13(19)5-6-16(15)21-17(14)12-22/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,20,23) | | Definition date: | 2024-04-15 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | ~{N}-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide |
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 | | ZKR | | Name: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid | | Formula: | C5 H4 B F3 O2 S | | SMILES: | FC(F)(F)c1ccc(s1)B(O)O | | InChi: | InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H | | Definition date: | 2023-06-28 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid |
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 | | A1APV | | Name: | Naloxone | | Formula: | C19 H21 N O4 | | SMILES: | O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c54 | | InChi: | InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | | Synonyms: | 3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one | | Definition date: | 2024-04-26 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | 3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one |
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 | | SZI | | Name: | [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | | Formula: | C17 H14 B F6 N2 O3 S | | SMILES: | O[B](O)(O)CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C17H14BF6N2O3S/c19-16(20,21)11-6-5-10(12(7-11)17(22,23)24)8-26-14-4-2-1-3-13(14)25-15(26)30-9-18(27,28)29/h1-7,27-29H,8-9H2 | | Definition date: | 2022-12-20 | | Last modified: | 2024-07-05 | | Release date: | 2024-07-10 | | Identifier: | [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-tris(oxidanyl)boron |
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 | | PXA | | Name: | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE | | Formula: | C15 H11 N3 O6 | | SMILES: | O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O | | InChi: | InChI=1S/C15H11N3O6/c1-4-3-17-10(15(22)23)9-12(4)24-13-5(2)11(19)7(16)6(14(20)21)8(13)18-9/h3H,16H2,1-2H3,(H,20,21)(H,22,23) | | Synonyms: | (8-AZA)PHENOXAZINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-06-28 | | Identifier: | 8-amino-4,6-dimethyl-7-oxo-7H-pyrido[4,3-b][1,4]benzoxazine-1,9-dicarbaldehyde |
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 | | ZS9 | | Name: | dehydrocostus lactone, bound form | | Formula: | C15 H20 O2 | | SMILES: | C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C | | InChi: | InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1 | | Definition date: | 2023-07-03 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one |
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 | | VDC | | Name: | N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | | Formula: | C24 H26 F N5 O4 | | SMILES: | FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O | | InChi: | InChI=1S/C24H26FN5O4/c1-13(2)34-21-15(20(31)26-17-5-4-6-29(22(17)32)18-8-16(18)25)7-14-9-30(28-19(14)27-21)24-10-23(3,11-24)33-12-24/h4-7,9,13,16,18H,8,10-12H2,1-3H3,(H,26,31)/t16-,18+,23-,24-/m0/s1 | | Definition date: | 2023-09-11 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide |
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 | | XOH | | Name: | 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide | | Formula: | C26 H28 F2 N8 O5 | | SMILES: | Cc1nonc1CNC(=O)c2c[nH]c3nccc(Oc4c(F)cc(NC(=O)NCCCN5CCOCC5)cc4F)c23 | | InChi: | InChI=1S/C26H28F2N8O5/c1-15-20(35-41-34-15)14-32-25(37)17-13-31-24-22(17)21(3-5-29-24)40-23-18(27)11-16(12-19(23)28)33-26(38)30-4-2-6-36-7-9-39-10-8-36/h3,5,11-13H,2,4,6-10,14H2,1H3,(H,29,31)(H,32,37)(H2,30,33,38) | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide |
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 | | VE9 | | Name: | N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | | Formula: | C24 H26 F N5 O4 | | SMILES: | FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O | | InChi: | InChI=1S/C24H26FN5O4/c1-13(2)34-21-15(20(31)26-17-5-4-6-29(22(17)32)18-8-16(18)25)7-14-9-30(28-19(14)27-21)24-10-23(3,11-24)33-12-24/h4-7,9,13,16,18H,8,10-12H2,1-3H3,(H,26,31)/t16?,18-,23-,24-/m0/s1 | | Definition date: | 2023-09-12 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide |
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 | | XON | | Name: | ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine | | Formula: | C25 H23 F5 N4 O3 | | SMILES: | Fc1cc(NC2=NCC3(CCOCC3)CO2)cc(F)c1Oc4ccnc5[nH]cc(c45)C6(CC6)C(F)(F)F | | InChi: | InChI=1S/C25H23F5N4O3/c26-16-9-14(34-22-33-12-23(13-36-22)4-7-35-8-5-23)10-17(27)20(16)37-18-1-6-31-21-19(18)15(11-32-21)24(2-3-24)25(28,29)30/h1,6,9-11H,2-5,7-8,12-13H2,(H,31,32)(H,33,34) | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine |
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 | | XOR | | Name: | [(5~{R})-2-[[3,5-bis(fluoranyl)-4-[[3-(trifluoromethyl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]amino]-5-fluoranyl-4,6-dihydro-1,3-oxazin-5-yl]methanol | | Formula: | C19 H14 F6 N4 O3 | | SMILES: | OC[C]1(F)COC(=NC1)Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2 | | InChi: | InChI=1S/C19H14F6N4O3/c20-11-3-9(29-17-28-6-18(22,7-30)8-31-17)4-12(21)15(11)32-13-1-2-26-16-14(13)10(5-27-16)19(23,24)25/h1-5,30H,6-8H2,(H,26,27)(H,28,29)/t18-/m1/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | [(5~{R})-2-[[3,5-bis(fluoranyl)-4-[[3-(trifluoromethyl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]amino]-5-fluoranyl-4,6-dihydro-1,3-oxazin-5-yl]methanol |
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 | | XOZ | | Name: | 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea | | Formula: | C20 H17 F2 N5 O3 S | | SMILES: | COCCNC(=O)Nc1cc(F)c(Oc2ccnc3[nH]cc(c4scnc4)c23)c(F)c1 | | InChi: | InChI=1S/C20H17F2N5O3S/c1-29-5-4-25-20(28)27-11-6-13(21)18(14(22)7-11)30-15-2-3-24-19-17(15)12(8-26-19)16-9-23-10-31-16/h2-3,6-10H,4-5H2,1H3,(H,24,26)(H2,25,27,28) | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea |
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 | | XQL | | Name: | 1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea | | Formula: | C23 H24 F2 N6 O3 | | SMILES: | COCCNC(=O)Nc1cc(F)c(Oc2ccnc3[nH]cc(c4ccn(n4)C(C)C)c23)c(F)c1 | | InChi: | InChI=1S/C23H24F2N6O3/c1-13(2)31-8-5-18(30-31)15-12-28-22-20(15)19(4-6-26-22)34-21-16(24)10-14(11-17(21)25)29-23(32)27-7-9-33-3/h4-6,8,10-13H,7,9H2,1-3H3,(H,26,28)(H2,27,29,32) | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea |
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 | | YC0 | | Name: | methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate | | Formula: | C33 H46 N2 O6 | | SMILES: | COC(=O)[CH](CO)NC(=O)N[C]1(C)CC[C]2(C)CC[C]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C]4(C)CC[C]3(C)[CH]2C1)C | | InChi: | InChI=1S/C33H46N2O6/c1-19-20-8-9-24-31(4,21(20)16-23(37)26(19)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)34-22(18-36)27(39)41-7/h8-9,16,22,25,36,38H,10-15,17-18H2,1-7H3,(H2,34,35,40)/t22-,25+,29+,30+,31-,32+,33-/m0/s1 | | Definition date: | 2023-11-29 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate |
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 | | YCC | | Name: | methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate | | Formula: | C34 H46 N2 O6 | | SMILES: | COC(=O)C1(COC1)NC(=O)N[C]2(C)CC[C]3(C)CC[C]4(C)C5=CC=C6C(=C(O)C(=O)C=C6[C]5(C)CC[C]4(C)[CH]3C2)C | | InChi: | InChI=1S/C34H46N2O6/c1-20-21-8-9-24-31(4,22(21)16-23(37)26(20)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)36-34(18-42-19-34)27(39)41-7/h8-9,16,25,38H,10-15,17-19H2,1-7H3,(H2,35,36,40)/t25-,29-,30-,31+,32-,33+/m1/s1 | | Definition date: | 2023-11-29 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate |
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 | | 7IO | | Name: | 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine | | Formula: | C26 H22 N4 O | | SMILES: | C1CN(CCN1)c2ccc(cc2)c3cnc4c(occ4c5ccnc6ccccc56)c3 | | InChi: | InChI=1S/C26H22N4O/c1-2-4-24-22(3-1)21(9-10-28-24)23-17-31-25-15-19(16-29-26(23)25)18-5-7-20(8-6-18)30-13-11-27-12-14-30/h1-10,15-17,27H,11-14H2 | | Definition date: | 2023-07-12 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine |
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 | | A1L16 | | Name: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol | | Formula: | C15 H15 N O | | SMILES: | CC(C)[C]1(O)c2ccccc2c3ncccc13 | | InChi: | InChI=1S/C15H15NO/c1-10(2)15(17)12-7-4-3-6-11(12)14-13(15)8-5-9-16-14/h3-10,17H,1-2H3/t15-/m1/s1 | | Definition date: | 2024-05-29 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol |
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 | | 4UH | | Name: | Amphotericin B | | Formula: | C47 H73 N O17 | | SMILES: | O=C(O)C1C(O)CC2(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC3OC(C)C(O)C(N)C3O)CC1O2 | | InChi: | InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 | | Synonyms: | (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid | | Definition date: | 2021-07-14 | | Last modified: | 2024-06-11 | | Release date: | 2022-03-09 | | Identifier: | (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid |
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 | | A1ALB | | Name: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline | | Formula: | C12 H9 N3 O | | SMILES: | Nc1cccc(c1)c1nc2ncccc2o1 | | InChi: | InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2 | | Definition date: | 2024-04-08 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline |
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 | | 7RZ | | Name: | [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate | | Formula: | C29 H35 B Br N7 O9 P | | SMILES: | CN(CCCOc1ccc(Br)c2[CH](CN)O[B]3(O[CH]4[CH](CO[P](O)(O)=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)c12)Cc7ccccc7 | | InChi: | InChI=1S/C29H35BBrN7O9P/c1-37(13-17-6-3-2-4-7-17)10-5-11-42-19-9-8-18(31)22-20(12-32)45-30(23(19)22)46-25-21(14-43-48(39,40)41)44-29(26(25)47-30)38-16-36-24-27(33)34-15-35-28(24)38/h2-4,6-9,15-16,20-21,25-26,29H,5,10-14,32H2,1H3,(H2,33,34,35)(H2,39,40,41)/t20-,21-,25-,26-,29-/m1/s1 | | Synonyms: | AMP adduct with 3-[[(3S)-3-(aminomethyl)-4-bromanyl-1,3-dihydro-2,1-benzoxaborol-7-yl]oxy]-N-methyl-N-(phenylmethyl)propan-1-amine | | Definition date: | 2023-07-12 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | [(1~{R},3'~{S},5~{S},6~{R},8~{R})-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3~{H}-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate |
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