 | | 1T1 | | Name: | stearoyl adenylate | | Formula: | C28 H48 N5 O8 P | | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 | | Synonyms: | 5'-O-[(R)-hydroxy(octadecanoyloxy)phosphoryl]adenosine | | Definition date: | 2021-06-25 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 5'-O-[(R)-hydroxy(octadecanoyloxy)phosphoryl]adenosine |
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 | | 1TF | | Name: | palmitoyl adenylate | | Formula: | C26 H44 N5 O8 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C26H44N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(32)39-40(35,36)37-16-19-22(33)23(34)26(38-19)31-18-30-21-24(27)28-17-29-25(21)31/h17-19,22-23,26,33-34H,2-16H2,1H3,(H,35,36)(H2,27,28,29)/t19-,22-,23-,26-/m1/s1 | | Synonyms: | 5'-O-[(R)-(hexadecanoyloxy)(hydroxy)phosphoryl]adenosine | | Definition date: | 2021-06-25 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 5'-O-[(R)-(hexadecanoyloxy)(hydroxy)phosphoryl]adenosine |
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 | | 1TI | | Name: | 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide | | Formula: | C27 H27 F N6 O2 | | SMILES: | Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](C#N)(C4=O)C5(C)CC5)c2 | | InChi: | InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)/t27-/m0/s1 | | Definition date: | 2021-07-08 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 4-[(3~{S})-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide |
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 | | 1UI | | Name: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide | | Formula: | C28 H26 F N5 O3 | | SMILES: | COc1cncc(c1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](C#N)(C5CC5)C4=O)c2 | | InChi: | InChI=1S/C28H26FN5O3/c1-17-7-23(34-6-5-28(16-30,27(34)36)21-3-4-21)12-25(33-17)26(35)32-13-18-8-19(10-22(29)9-18)20-11-24(37-2)15-31-14-20/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,32,35)/t28-/m1/s1 | | Definition date: | 2021-07-08 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide |
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 | | I3U | | Name: | 4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid | | Formula: | C9 H18 N2 O4 | | SMILES: | NCCCCCN(O)C(=O)CCC(=O)O | | InChi: | InChI=1S/C9H18N2O4/c10-6-2-1-3-7-11(15)8(12)4-5-9(13)14/h15H,1-7,10H2,(H,13,14) | | Synonyms: | N-(3-carboxypropanoyl)-N-hydroxycadaverine | | Definition date: | 2022-01-10 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid |
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 | | 1KF | | Name: | (3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid | | Formula: | C25 H27 F3 N2 O3 | | SMILES: | C[CH](CCCOc1ccccc1Cn2c(C)cnc2c3ccc(cc3)C(F)(F)F)CC(O)=O | | InChi: | InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1 | | Definition date: | 2021-07-02 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (3~{R})-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid |
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 | | 9FF | | Name: | 1H-indole-2-carbaldehyde | | Formula: | C9 H7 N O | | SMILES: | O=Cc1[nH]c2ccccc2c1 | | InChi: | InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H | | Definition date: | 2022-03-11 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 1~{H}-indole-2-carbaldehyde |
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 | | H8I | | Name: | [2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone | | Formula: | C21 H16 Cl2 N2 O2 | | SMILES: | Clc1ccc(Cl)c(Oc2ncccc2C(=O)N3CCCc4ccccc34)c1 | | InChi: | InChI=1S/C21H16Cl2N2O2/c22-15-9-10-17(23)19(13-15)27-20-16(7-3-11-24-20)21(26)25-12-4-6-14-5-1-2-8-18(14)25/h1-3,5,7-11,13H,4,6,12H2 | | Definition date: | 2022-05-20 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | [2-[2,5-bis(chloranyl)phenoxy]pyridin-3-yl]-(3,4-dihydro-2~{H}-quinolin-1-yl)methanone |
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 | | HFJ | | Name: | 2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol | | Formula: | C25 H34 N2 O3 | | SMILES: | c3(CN2C(CCO)CN(C[C@H]=[C@H]c1ccc(cc1)OC)CC2)ccc(cc3)OCC | | InChi: | InChI=1S/C25H34N2O3/c1-3-30-25-12-8-22(9-13-25)19-27-17-16-26(20-23(27)14-18-28)15-4-5-21-6-10-24(29-2)11-7-21/h4-13,23,28H,3,14-20H2,1-2H3/b5-4+/t23-/m0/s1 | | Synonyms: | RG6 | | Definition date: | 2018-06-27 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol |
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 | | 2I7 | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol | | Formula: | C25 H30 N4 O4 | | SMILES: | Cc1cc(cc(c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1)c1ncccn1 | | InChi: | InChI=1S/C25H30N4O4/c1-16-8-19(25-26-6-3-7-27-25)11-20(9-16)28-12-17-4-2-5-18(10-17)13-29-14-22(31)24(33)23(32)21(29)15-30/h2-11,21-24,28,30-33H,12-15H2,1H3/t21-,22+,23-,24-/m1/s1 | | Definition date: | 2021-06-28 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol |
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 | | 3IQ | | Name: | (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium | | Formula: | C13 H16 N3 | | SMILES: | CC1C=C(C[NH2+]C1)c1c[NH]c2ncccc21 | | InChi: | InChI=1S/C13H15N3/c1-9-5-10(7-14-6-9)12-8-16-13-11(12)3-2-4-15-13/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)/p+1/t9-/m1/s1 | | Definition date: | 2021-07-06 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium |
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 | | 3YJ | | Name: | 11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide | | Formula: | C33 H53 N O3 | | SMILES: | CCCN(C)C(=O)CCCCCCCCCCC1Cc2cc(O)ccc2C2CCC3(C)C(CCC3O)C21 | | InChi: | InChI=1S/C33H53NO3/c1-4-21-34(3)31(37)14-12-10-8-6-5-7-9-11-13-24-22-25-23-26(35)15-16-27(25)28-19-20-33(2)29(32(24)28)17-18-30(33)36/h15-16,23-24,28-30,32,35-36H,4-14,17-22H2,1-3H3/t24-,28-,29+,30+,32-,33+/m1/s1 | | Definition date: | 2021-07-07 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide |
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 | | 4CI | | Name: | N-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide | | Formula: | C21 H13 N O5 S | | SMILES: | Oc1ccc2c(Oc3cc(O)ccc3[C]24OC(=O)c5cc(NC=S)ccc45)c1 | | InChi: | InChI=1S/C21H13NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-10,23-24H,(H,22,28) | | Definition date: | 2021-07-27 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | ~{N}-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide |
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 | | 4IL | | Name: | 13-Oxofumitremorgin B | | Formula: | C27 H31 N3 O5 | | SMILES: | COc1ccc2c(c1)n(CC=C(C)C)c3[CH](C=C(C)C)N4C(=O)[CH]5CCCN5C(=O)[C]4(O)C(=O)c23 | | InChi: | InChI=1S/C27H31N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,34H,6-7,11-12H2,1-5H3/t19-,21-,27+/m0/s1 | | Synonyms: | (1R,12S,15S)-1-hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-2,14,20-trione | | Definition date: | 2022-02-02 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 |
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 | | F30 | | Name: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide | | Formula: | C16 H11 Br N6 O | | SMILES: | Brc1c[NH]c2ccc(cc21)C(=O)Nc1cccc(c1)c1nnn[NH]1 | | InChi: | InChI=1S/C16H11BrN6O/c17-13-8-18-14-5-4-10(7-12(13)14)16(24)19-11-3-1-2-9(6-11)15-20-22-23-21-15/h1-8,18H,(H,19,24)(H,20,21,22,23) | | Definition date: | 2021-12-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide |
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 | | F3R | | Name: | N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide | | Formula: | C12 H20 N6 O2 | | SMILES: | O=C(Nc1nnn[NH]1)C(C)NC(=O)CC1CCCCC1 | | InChi: | InChI=1S/C12H20N6O2/c1-8(11(20)14-12-15-17-18-16-12)13-10(19)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,13,19)(H2,14,15,16,17,18,20)/t8-/m0/s1 | | Definition date: | 2021-12-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide |
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 | | F4L | | Name: | Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide | | Formula: | C17 H21 N7 O3 | | SMILES: | O=C(Nc1nnn[NH]1)C(Cc1c[NH]c2ccccc21)NC(=O)OC(C)(C)C | | InChi: | InChI=1S/C17H21N7O3/c1-17(2,3)27-16(26)19-13(14(25)20-15-21-23-24-22-15)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3,(H,19,26)(H2,20,21,22,23,24,25)/t13-/m1/s1 | | Definition date: | 2021-12-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide |
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 | | YOA | | Name: | 5'-{[(2R,3S)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine | | Formula: | C25 H44 N9 O12 P S3 | | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(N)CS | | InChi: | InChI=1S/C25H44N9O12PS3/c1-25(2,10-45-47(40,41)42)20(38)23(39)29-4-3-16(35)28-5-6-49-15(13(26)8-48)9-50(43,44)33-7-14-18(36)19(37)24(46-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,36-38,48H,3-10,26H2,1-2H3,(H,28,35)(H,29,39)(H2,27,30,31)(H2,40,41,42)/t13-,14+,15-,18+,19+,20-,24+/m0/s1 | | Definition date: | 2021-03-16 | | Last modified: | 2022-06-29 | | Release date: | 2022-02-02 | | Identifier: | 5'-{[(2R,3S)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine |
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 | | R1L | | Name: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile | | Formula: | C36 H40 F N9 O3 | | SMILES: | c2(cc(Oc1ccccc1)ccc2c3c7c(n(n3)C4CCCN(C4)C(C(C#N)=[C@H]C(C)(C)N5CCN(CC5)C6COC6)=O)ncnc7N)F | | InChi: | InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m1/s1 | | Synonyms: | Rilzabrutinib | | Definition date: | 2020-12-23 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile |
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 | | ZQV | | Name: | 5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid | | Formula: | C28 H25 Cl N4 O4 | | SMILES: | CC(=O)NC1CC=C(CC1)c1ccc(cc1)c1nc2nc(Oc3cc(C(=O)O)c(C)cc3)[NH]c2cc1Cl | | InChi: | InChI=1S/C28H25ClN4O4/c1-15-3-12-21(13-22(15)27(35)36)37-28-31-24-14-23(29)25(32-26(24)33-28)19-6-4-17(5-7-19)18-8-10-20(11-9-18)30-16(2)34/h3-8,12-14,20H,9-11H2,1-2H3,(H,30,34)(H,35,36)(H,31,32,33)/t20-/m0/s1 | | Definition date: | 2021-05-21 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid |
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 | | WB2 | | Name: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid | | Formula: | C52 H48 N4 O14 S2 | | SMILES: | COc1cc(ccc1OC(=O)c2sccc2)[CH]3[C](NC(=O)c4ccc(NC(=O)C(C)C)cc4)([CH](c5ccc(OC(=O)c6sccc6)c(OC)c5)[C]3(NC(=O)c7ccc(NC(=O)C(C)C)cc7)C(O)=O)C(O)=O | | InChi: | InChI=1S/C52H48N4O14S2/c1-27(2)43(57)53-33-17-11-29(12-18-33)45(59)55-51(49(63)64)41(31-15-21-35(37(25-31)67-5)69-47(61)39-9-7-23-71-39)52(50(65)66,56-46(60)30-13-19-34(20-14-30)54-44(58)28(3)4)42(51)32-16-22-36(38(26-32)68-6)70-48(62)40-10-8-24-72-40/h7-28,41-42H,1-6H3,(H,53,57)(H,54,58)(H,55,59)(H,56,60)(H,63,64)(H,65,66)/t41-,42+,51+,52- | | Definition date: | 2022-04-01 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid |
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 | | P4V | | Name: | rotundine | | Formula: | C21 H25 N O4 | | SMILES: | COc1c2CN3CCc4cc(OC)c(OC)cc4C3Cc2ccc1OC | | InChi: | InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1 | | Definition date: | 2022-05-24 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (7R,13aR)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline |
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 | | BYI | | Name: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid | | Formula: | C54 H52 N4 O16 S2 | | SMILES: | COc1cc(ccc1OC(=O)c2sccc2)[CH]3[C](NC(=O)c4ccc(NC(=O)OC(C)(C)C)cc4)([CH](c5ccc(OC(=O)c6sccc6)c(OC)c5)[C]3(NC(=O)c7ccc(NC(=O)OC(C)(C)C)cc7)C(O)=O)C(O)=O | | InChi: | InChI=1S/C54H52N4O16S2/c1-51(2,3)73-49(67)55-33-19-13-29(14-20-33)43(59)57-53(47(63)64)41(31-17-23-35(37(27-31)69-7)71-45(61)39-11-9-25-75-39)54(48(65)66,58-44(60)30-15-21-34(22-16-30)56-50(68)74-52(4,5)6)42(53)32-18-24-36(38(28-32)70-8)72-46(62)40-12-10-26-76-40/h9-28,41-42H,1-8H3,(H,55,67)(H,56,68)(H,57,59)(H,58,60)(H,63,64)(H,65,66)/t41-,42+,53+,54- | | Definition date: | 2022-04-01 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid |
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 | | 1WR | | Name: | (3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid | | Formula: | C22 H25 N O2 | | SMILES: | OC(=O)[CH]1CCCN(CCC=C(c2ccccc2)c3ccccc3)C1 | | InChi: | InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m0/s1 | | Synonyms: | SKF89976A | | Definition date: | 2022-01-24 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (3~{S})-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid |
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 | | 1IF | | Name: | 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide | | Formula: | C21 H14 F3 N3 O | | SMILES: | Nc1ccc(C#Cc2cccc(c2)C(=O)Nc2cc(ccc2)C(F)(F)F)cn1 | | InChi: | InChI=1S/C21H14F3N3O/c22-21(23,24)17-5-2-6-18(12-17)27-20(28)16-4-1-3-14(11-16)7-8-15-9-10-19(25)26-13-15/h1-6,9-13H,(H2,25,26)(H,27,28) | | Definition date: | 2021-06-22 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide |
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