 | | T1T | | Name: | 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide | | Formula: | C17 H12 F3 N5 O S | | SMILES: | FC(F)(F)c1[nH]ncc1c2nc3ccc4[nH]ncc4c3c5CC[S](=O)Cc25 | | InChi: | InChI=1S/C17H12F3N5OS/c18-17(19,20)16-10(6-22-25-16)15-11-7-27(26)4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25)/t27-/m1/s1 | | Definition date: | 2020-12-11 | | Last modified: | 2021-07-30 | | Release date: | 2021-08-04 |
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 | | WF1 | | Name: | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid | | Formula: | C12 H24 N2 O7 | | SMILES: | C(OCCOCC(O)=O)CNC(COCCOCCN)=O | | InChi: | InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17) | | Definition date: | 2020-10-23 | | Last modified: | 2021-07-30 | | Release date: | 2021-08-04 | | Identifier: | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid |
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 | | V8A | | Name: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | | Formula: | C42 H60 N8 O8 | | SMILES: | C(CCN1CCOCC1)N2C(=O)c7c6c(C2=O)cc(NCCCN3CCOCC3)c5C(=O)N(CCCN4CCOCC4)C(c(c56)cc7NCCCN8CCOCC8)=O | | InChi: | InChI=1S/C42H60N8O8/c51-39-31-29-33(43-5-1-7-45-13-21-55-22-14-45)37-35-32(40(52)49(41(37)53)11-3-9-47-17-25-57-26-18-47)30-34(44-6-2-8-46-15-23-56-24-16-46)38(36(31)35)42(54)50(39)12-4-10-48-19-27-58-28-20-48/h29-30,43-44H,1-28H2 | | Definition date: | 2020-07-14 | | Last modified: | 2021-07-23 | | Release date: | 2021-07-28 | | Identifier: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone |
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 | | TEQ | | Name: | 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine | | Formula: | C21 H19 F N6 | | SMILES: | Cc1ncccc1[CH]2C[CH](Nc3n2ncc3F)c4cccc5nc(N)ccc45 | | InChi: | InChI=1S/C21H19FN6/c1-12-13(5-3-9-24-12)19-10-18(27-21-16(22)11-25-28(19)21)14-4-2-6-17-15(14)7-8-20(23)26-17/h2-9,11,18-19,27H,10H2,1H3,(H2,23,26)/t18-,19+/m0/s1 | | Synonyms: | 5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine | | Definition date: | 2020-12-21 | | Last modified: | 2021-07-23 | | Release date: | 2021-07-28 | | Identifier: | 5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine |
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 | | VXJ | | Name: | N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | | Formula: | C19 H16 Cl F N4 O | | SMILES: | c1c(c(cc(c1)NC(=O)N2Cc3c(CC2)nnc3c4ccccc4)Cl)F | | InChi: | InChI=1S/C19H16ClFN4O/c20-15-10-13(6-7-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,24) | | Definition date: | 2020-09-18 | | Last modified: | 2021-07-23 | | Release date: | 2021-07-28 | | Identifier: | N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
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 | | T7K | | Name: | neutral Yb(III)-caged complex | | Formula: | C21 H29 N4 O7 Yb | | SMILES: | Oc1ccc(CN2CCN3CCN4CCN(CC2)CC(=O)O[Yb](OC(=O)C4)OC(=O)C3)cc1 | | InChi: | InChI=1S/C21H32N4O7.Yb/c26-18-3-1-17(2-4-18)13-22-5-7-23(14-19(27)28)9-11-25(16-21(31)32)12-10-24(8-6-22)15-20(29)30 | | Synonyms: | 8-[(4-hydroxyphenyl)methyl]-2,17,18-trioxa-5,8,11,14-tetraza-1(gamma)-ytterbatricyclo[9.6.3.25,14]docosane-3,16,19-trione | | Definition date: | 2020-12-17 | | Last modified: | 2021-07-16 | | Release date: | 2021-07-21 |
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 | | ZQS | | Name: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine | | Formula: | C14 H15 N5 S2 | | SMILES: | NC1=NC2(CN(CC2CS1)c1ncccn1)c1cccs1 | | InChi: | InChI=1S/C14H15N5S2/c15-12-18-14(11-3-1-6-20-11)9-19(7-10(14)8-21-12)13-16-4-2-5-17-13/h1-6,10H,7-9H2,(H2,15,18)/t10-,14-/m0/s1 | | Definition date: | 2021-05-21 | | Last modified: | 2021-07-16 | | Release date: | 2021-07-21 | | Identifier: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
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 | | ZR7 | | Name: | N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide | | Formula: | C22 H20 F2 N8 O2 S | | SMILES: | COc1ncc(nc1)C(=O)Nc1cc(c(F)cc1)C12N=C(N)SCC2CN(C1)c1ncc(F)cn1 | | InChi: | InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1 | | Definition date: | 2021-05-24 | | Last modified: | 2021-07-16 | | Release date: | 2021-07-21 | | Identifier: | N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide |
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 | | 9E0 | | Name: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid | | Formula: | C12 H11 N O2 S | | SMILES: | C[CH]1[CH](Sc2cccc3[nH]cc1c23)C(O)=O | | InChi: | InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1 | | Definition date: | 2018-03-21 | | Last modified: | 2021-07-16 | | Release date: | 2021-07-21 | | Identifier: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid |
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 | | ZL4 | | Name: | (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name) | | Formula: | C37 H54 N5 O4 | | SMILES: | CCC(O)(O)CCCCCC1NC(=O)C2CC32CCN(CCCCCCCC[n+]2ccc4cc(ccc4c2O)c2cnc1[NH]2)CC3 | | InChi: | InChI=1S/C37H53N5O4/c1-2-37(45,46)16-9-7-8-12-31-33-38-26-32(39-33)28-13-14-29-27(24-28)15-21-42(35(29)44)20-11-6-4-3-5-10-19-41-22-17-36(18-23-41)25-30(36)34(43)40-31/h13-15,21,24,26,30-31,45-46H,2-12,16-20,22-23,25H2,1H3,(H2,38,39,40,43,44)/p+1/t30-,31+/m1/s1 | | Definition date: | 2021-05-04 | | Last modified: | 2021-07-09 | | Release date: | 2021-07-14 | | Identifier: | (1S,3S,6S,27R)-6-(6,6-dihydroxyoctyl)-32-hydroxy-4-oxo-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16,18(32)-heptaen-18-ium (non-preferred name) |
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 | | YHP | | Name: | N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide | | Formula: | C29 H25 F4 N5 O2 | | SMILES: | FC(F)(F)c1cccc(c1)C(=O)NC1C(=O)N(CC)c2c(C1c1ccc(F)cc1)c(nn2c1ccccc1)CN | | InChi: | InChI=1S/C29H25F4N5O2/c1-2-37-27-24(22(16-34)36-38(27)21-9-4-3-5-10-21)23(17-11-13-20(30)14-12-17)25(28(37)40)35-26(39)18-7-6-8-19(15-18)29(31,32)33/h3-15,23,25H,2,16,34H2,1H3,(H,35,39)/t23-,25-/m0/s1 | | Definition date: | 2021-03-09 | | Last modified: | 2021-07-09 | | Release date: | 2021-07-14 | | Identifier: | N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide |
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 | | ZLS | | Name: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide | | Formula: | C32 H46 N4 O3 | | SMILES: | CN1CCC2(CC2C(=O)NC(CCCCCC(O)(O)CC)c2nc(c[NH]2)c2ccc3C4CCC(C4)c3c2)CC1 | | InChi: | InChI=1S/C32H46N4O3/c1-3-32(38,39)12-6-4-5-7-27(35-30(37)26-19-31(26)13-15-36(2)16-14-31)29-33-20-28(34-29)23-10-11-24-21-8-9-22(17-21)25(24)18-23/h10-11,18,20-22,26-27,38-39H,3-9,12-17,19H2,1-2H3,(H,33,34)(H,35,37)/t21-,22+,26-,27+/m1/s1 | | Definition date: | 2021-05-05 | | Last modified: | 2021-07-09 | | Release date: | 2021-07-14 | | Identifier: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide |
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 | | ZRD | | Name: | (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine | | Formula: | C13 H13 F N6 S2 | | SMILES: | Fc1cnc(nc1)N1CC2(N=C(N)SCC2C1)c1ccns1 | | InChi: | InChI=1S/C13H13FN6S2/c14-9-3-16-12(17-4-9)20-5-8-6-21-11(15)19-13(8,7-20)10-1-2-18-22-10/h1-4,8H,5-7H2,(H2,15,19)/t8-,13-/m0/s1 | | Definition date: | 2021-05-25 | | Last modified: | 2021-07-09 | | Release date: | 2021-07-14 | | Identifier: | (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
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 | | G0O | | Name: | (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide | | Formula: | C11 H13 N5 O S | | SMILES: | C[CH](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2 | | InChi: | InChI=1S/C11H13N5OS/c1-7(6-18)11(17)12-9-4-2-3-8(5-9)10-13-15-16-14-10/h2-5,7,18H,6H2,1H3,(H,12,17)(H,13,14,15,16)/t7-/m1/s1 | | Definition date: | 2020-07-14 | | Last modified: | 2021-07-09 | | Release date: | 2021-07-14 | | Identifier: | (2~{S})-2-methyl-3-sulfanyl-~{N}-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]propanamide |
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 | | 15P | | Name: | POLYETHYLENE GLYCOL (N=34) | | Formula: | C69 H140 O35 | | SMILES: | O(CCOCCO)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC | | InChi: | InChI=1S/C69H140O35/c1-71-4-5-73-8-9-75-12-13-77-16-17-79-20-21-81-24-25-83-28-29-85-32-33-87-36-37-89-40-41-91-44-45-93-48-49-95-52-53-97-56-57-99-60-61-101-64-65-103-68-69-104-67-66-102-63-62-100-59-58-98-55-54-96-51-50-94-47-46-92-43-42-90-39-38-88-35-34-86-31-30-84-27-26-82-23-22-80-19-18-78-15-14-76-11-10-74-7-6-72-3-2-70/h70H,2-69H2,1H3 | | Synonyms: | PEG 1500 | | Definition date: | 1999-11-17 | | Last modified: | 2021-07-08 | | Identifier: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101-tetratriacontaoxatrihectan-103-ol |
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 | | YUV | | Name: | (25R)-14beta,17beta-spirost-5-en-3beta-ol | | Formula: | C27 H42 O3 | | SMILES: | CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC21CCC(C)CO2 | | InChi: | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (25R)-14beta,17beta-spirost-5-en-3beta-ol |
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 | | YUY | | Name: | (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C44 H72 O15 | | SMILES: | OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(CO)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1 | | InChi: | InChI=1S/C44H72O15/c1-22-7-13-44(55-20-22)23(2)33-30(59-44)16-29-27-6-5-25-15-26(8-11-42(25,3)28(27)9-12-43(29,33)4)53-14-10-24(17-45)21-54-40-38(52)36(50)39(32(19-47)57-40)58-41-37(51)35(49)34(48)31(18-46)56-41/h5,22-24,26-41,45-52H,6-21H2,1-4H3/t22-,23+,24-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-/m1/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | V8Z | | Name: | (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene | | Formula: | C15 H24 | | SMILES: | CC1=CCC(C)(C)C=CCC(=CCC1)C | | InChi: | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ | | Synonyms: | (1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene | | Definition date: | 2021-04-30 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (1~{E},8~{E})-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
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 | | ZQY | | Name: | 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine | | Formula: | C20 H23 N7 O2 S | | SMILES: | COc1nc(NCCc2ccc(OCc3nnn[NH]3)cc2)c2cc(CCC)sc2n1 | | InChi: | InChI=1S/C20H23N7O2S/c1-3-4-15-11-16-18(22-20(28-2)23-19(16)30-15)21-10-9-13-5-7-14(8-6-13)29-12-17-24-26-27-25-17/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,22,23)(H,24,25,26,27) | | Definition date: | 2021-05-21 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine |
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 | | KUK | | Name: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid | | Formula: | C16 H18 N12 O5 | | SMILES: | NC1=NC(=O)[CH](NC(=O)Nc2ccc(nc2)C(=O)N[CH](CCc3[nH]nnn3)C(O)=O)C(=N1)N | | InChi: | InChI=1S/C16H18N12O5/c17-11-10(13(30)24-15(18)23-11)22-16(33)20-6-1-2-7(19-5-6)12(29)21-8(14(31)32)3-4-9-25-27-28-26-9/h1-2,5,8,10H,3-4H2,(H,21,29)(H,31,32)(H2,20,22,33)(H,25,26,27,28)(H4,17,18,23,24,30)/t8-,10-/m0/s1 | | Synonyms: | TH9028 | | Definition date: | 2019-06-27 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid |
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 | | BKL | | Name: | (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione | | Formula: | C28 H37 Cl N2 O8 | | SMILES: | C2C(N(c1c(Cl)c(OC)cc(c1)CC(=CC=CC(C4(NC(OC(C(C3C(C)(C2O)O3)C)C4)=O)O)OC)C)C)=O | | InChi: | InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7+,15-8+/t16-,20+,21-,22+,25-,27-,28-/m0/s1 | | Definition date: | 2019-02-13 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione |
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 | | BKX | | Name: | (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name) | | Formula: | C36 H50 Cl N3 O10 S2 | | SMILES: | c42cc(c(Cl)c(N(C)C(CC(C1(C)C(O1)C(C)C3CC(C(OC)C=CC=C(C)C2)(NC(=O)O3)O)OC(C(C)N(C)C(=O)CCSSC)=O)=O)c4)OC | | InChi: | InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22+,26+,27-,28-,32-,35-,36+/m1/s1 | | Definition date: | 2019-02-20 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name) |
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 | | HZ0 | | Name: | (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate | | Formula: | C36 H50 Cl N3 O10 S2 | | SMILES: | CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)[CH](C)N(C)C(=O)CCSSC)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4 | | InChi: | InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22-,26+,27-,28+,32+,35?,36+/m1/s1 | | Definition date: | 2021-02-25 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 |
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 | | X0M | | Name: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide | | Formula: | C11 H14 N2 O | | SMILES: | c2c1CC(CNc1ccc2)NC(C)=O | | InChi: | InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide |
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 | | Q65 | | Name: | (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol | | Formula: | C26 H37 B F2 N5 O4 | | SMILES: | C[CH]1CC(=C2[CH](CCCCc3cn(C[CH]4[CH](O)[CH](O)[CH](O)[CH]5O[CH]45)nn3)c6n(c(C)cc6C)[B](F)(F)N12)C | | InChi: | InChI=1S/C26H37BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9,11,16,18-19,22-26,35-37H,5-8,10,12H2,1-4H3/t16-,18+,19-,22-,23+,24-,25-,26+/m1/s1 | | Definition date: | 2020-05-20 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
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