 | | XGB | | Name: | 6-bromo-1H-benzo[d]imidazol-2-amine | | Formula: | C7 H6 Br N3 | | SMILES: | Nc1[nH]c2cc(Br)ccc2n1 | | InChi: | InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11) | | Synonyms: | 6-bromanyl-1H-benzimidazol-2-amine | | Definition date: | 2023-11-01 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 6-bromanyl-1~{H}-benzimidazol-2-amine |
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 | | XGF | | Name: | 5-bromobenzo[d]oxazol-2-amine | | Formula: | C7 H5 Br N2 O | | SMILES: | Nc1oc2ccc(Br)cc2n1 | | InChi: | InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10) | | Synonyms: | 5-bromanyl-1,3-benzoxazol-2-amine | | Definition date: | 2023-11-01 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 5-bromanyl-1,3-benzoxazol-2-amine |
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 | | 6IL | | Name: | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide | | Formula: | C23 H20 F N5 O S2 | | SMILES: | Fc1cc2scnc2cc1Nc3ncnc4sc(cc34)C5=CC[CH](CC5)NC(=O)C6CC6 | | InChi: | InChI=1S/C23H20FN5OS2/c24-16-8-20-18(27-11-31-20)9-17(16)29-21-15-7-19(32-23(15)26-10-25-21)12-3-5-14(6-4-12)28-22(30)13-1-2-13/h3,7-11,13-14H,1-2,4-6H2,(H,28,30)(H,25,26,29)/t14-/m0/s1 | | Definition date: | 2023-02-09 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide |
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 | | A1BBA | | Name: | (1R)-1-(2-amino-8-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol | | Formula: | C14 H18 N3 O7 P | | SMILES: | OP(=O)(O)OCC1OC(CC1O)c1cc(C)c2N=C(N)NC(=O)c2c1 | | InChi: | InChI=1S/C14H18N3O7P/c1-6-2-7(3-8-12(6)16-14(15)17-13(8)19)10-4-9(18)11(24-10)5-23-25(20,21)22/h2-3,9-11,18H,4-5H2,1H3,(H2,20,21,22)(H3,15,16,17,19)/t9-,10+,11+/m0/s1 | | Definition date: | 2024-09-29 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | (1R)-1-(2-amino-8-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol |
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 | | A1ICO | | Name: | 7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C34 H37 N7 O3 S | | SMILES: | Cn1ccc2C(=O)N(CC3(O)CCN(CC3)C(=O)[CH]4CCN(C[CH]4c5ccccc5)Cc6sc(cn6)c7ccncc7)C=Nc12 | | InChi: | InChI=1S/C34H37N7O3S/c1-38-15-9-27-31(38)37-23-41(33(27)43)22-34(44)11-17-40(18-12-34)32(42)26-10-16-39(20-28(26)24-5-3-2-4-6-24)21-30-36-19-29(45-30)25-7-13-35-14-8-25/h2-9,13-15,19,23,26,28,44H,10-12,16-18,20-22H2,1H3/t26-,28+/m1/s1 | | Definition date: | 2024-06-03 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one |
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 | | A1ICX | | Name: | 3-[[1-[(3~{R},4~{R})-1-[5-(3-methoxypyridin-4-yl)thiophen-2-yl]carbonyl-3-phenyl-piperidin-4-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C36 H38 N6 O5 S | | SMILES: | COc1cnccc1c2sc(cc2)C(=O)N3CC[CH]([CH](C3)c4ccccc4)C(=O)N5CCC(O)(CC5)CN6C=Nc7n(C)ccc7C6=O | | InChi: | InChI=1S/C36H38N6O5S/c1-39-16-11-27-32(39)38-23-42(34(27)44)22-36(46)13-18-40(19-14-36)33(43)25-12-17-41(21-28(25)24-6-4-3-5-7-24)35(45)31-9-8-30(48-31)26-10-15-37-20-29(26)47-2/h3-11,15-16,20,23,25,28,46H,12-14,17-19,21-22H2,1-2H3/t25-,28+/m1/s1 | | Definition date: | 2024-06-04 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 3-[[1-[(3~{R},4~{R})-1-[5-(3-methoxypyridin-4-yl)thiophen-2-yl]carbonyl-3-phenyl-piperidin-4-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | XLQ | | Name: | 2-azanyl-4-(trifluoromethyl)-6-[[(1~{R},3~{S})-3-(trifluoromethyl)cyclohexyl]methyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one | | Formula: | C15 H16 F6 N4 O | | SMILES: | Nc1nc2CN(C[CH]3CCC[CH](C3)C(F)(F)F)C(=O)c2c(n1)C(F)(F)F | | InChi: | InChI=1S/C15H16F6N4O/c16-14(17,18)8-3-1-2-7(4-8)5-25-6-9-10(12(25)26)11(15(19,20)21)24-13(22)23-9/h7-8H,1-6H2,(H2,22,23,24) | | Definition date: | 2023-11-03 | | Last modified: | 2024-10-25 | | Release date: | 2024-10-30 | | Identifier: | 2-azanyl-4-(trifluoromethyl)-6-[[(1~{R},3~{S})-3-(trifluoromethyl)cyclohexyl]methyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
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 | | A1BDF | | Name: | (5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine | | Formula: | C9 H11 N3 | | SMILES: | c1nc2CC3CCC(N3)c2cn1 | | InChi: | InChI=1S/C9H11N3/c1-2-8-7-4-10-5-11-9(7)3-6(1)12-8/h4-6,8,12H,1-3H2 | | Definition date: | 2024-10-15 | | Last modified: | 2024-10-25 | | Release date: | 2024-10-30 | | Identifier: | (5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
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 | | X4H | | Name: | Narazaciclib | | Formula: | C24 H27 N7 O | | SMILES: | CN1CCN(CC1)c1ccc(Nc2nc3N(C4CCCC4)C(=O)C(C#N)=Cc3cn2)cc1 | | InChi: | InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | | Synonyms: | 8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile | | Definition date: | 2023-10-20 | | Last modified: | 2024-10-18 | | Release date: | 2024-10-23 | | Identifier: | 8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile |
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 | | YBR | | Name: | N-methyl-D-glutamic acid | | Formula: | C6 H11 N O4 | | SMILES: | CNC(CCC(=O)O)C(=O)O | | InChi: | InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1 | | Definition date: | 2023-01-23 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | N-methyl-D-glutamic acid |
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 | | A1AJA | | Name: | 1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide | | Formula: | C43 H42 Br Cl N6 O5 S | | SMILES: | CS(=O)(=O)Nc1cc(NC(=O)CC(c2ccccc2Br)n2c3cc(CN4CCCC4C(=O)NC)ccc3nc2c2cccc(Oc3ccc(Cl)cc3)c2)c(C)cc1 | | InChi: | InChI=1S/C43H42BrClN6O5S/c1-27-13-17-31(49-57(3,54)55)24-37(27)47-41(52)25-39(34-10-4-5-11-35(34)44)51-40-22-28(26-50-21-7-12-38(50)43(53)46-2)14-20-36(40)48-42(51)29-8-6-9-33(23-29)56-32-18-15-30(45)16-19-32/h4-6,8-11,13-20,22-24,38-39,49H,7,12,21,25-26H2,1-3H3,(H,46,53)(H,47,52) | | Definition date: | 2024-04-02 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | 1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide |
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 | | W3T | | Name: | 1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone | | Formula: | C35 H33 F3 N6 O3 | | SMILES: | CC(=O)N1[CH]2CC[CH]1CN(C2)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(ncc36)c7cc(O)cc8ccc(F)c(C#C)c78 | | InChi: | InChI=1S/C35H33F3N6O3/c1-3-25-28(37)8-5-20-11-24(46)12-26(29(20)25)31-30(38)32-27(14-39-31)33(42-16-22-6-7-23(17-42)44(22)19(2)45)41-34(40-32)47-18-35-9-4-10-43(35)15-21(36)13-35/h1,5,8,11-12,14,21-23,46H,4,6-7,9-10,13,15-18H2,2H3/t21-,22-,23+,35+/m1/s1 | | Definition date: | 2023-09-19 | | Last modified: | 2024-10-02 | | Release date: | 2024-09-11 | | Identifier: | 1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone |
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 | | RJA | | Name: | Ratjadone A, bound form | | Formula: | C28 H44 O6 | | SMILES: | O=C(O)CCCC(O)/C=C/C(=CC(C)CC(=CC=CC(O)C1OC(/C=C/C)C(C(O)C1)C)C)C | | InChi: | InChI=1S/C28H44O6/c1-6-9-26-22(5)25(31)18-27(34-26)24(30)12-7-10-19(2)16-21(4)17-20(3)14-15-23(29)11-8-13-28(32)33/h6-7,9-10,12,14-15,17,21-27,29-31H,8,11,13,16,18H2,1-5H3,(H,32,33)/b9-6+,12-7+,15-14+,19-10+,20-17-/t21-,22+,23-,24-,25-,26+,27-/m1/s1 | | Definition date: | 2012-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2013-01-04 | | Identifier: | (1S,5R)-1,5-anhydro-5-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-trimethylpentadeca-2,4,8,10-tetraen-1-yl]-2,4-dideoxy-2-methyl-1-[(1E)-prop-1-en-1-yl]-D-threo-pentitol |
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 | | SRM | | Name: | SIROHEME | | Formula: | C42 H44 Fe N4 O16 | | SMILES: | O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O | | InChi: | InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | {3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron |
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 | | R5P | | Name: | RIBOSE-5-PHOSPHATE | | Formula: | C5 H11 O8 P | | SMILES: | O=P(OCC(O)C(O)C(O)C=O)(O)O | | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | | Definition date: | 2001-06-19 | | Last modified: | 2024-09-27 | | Identifier: | 5-O-phosphono-D-ribose |
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 | | YS7 | | Name: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside | | Formula: | C27 H49 N6 O12 P | | SMILES: | O=P(O)(O)OCc1cnc(C)c(O)c1CNCC1CCC(N)C(O1)OC1C(O)C(OC2OCC(C)(O)C(NC)C2O)C(N)CC1N | | InChi: | InChI=1S/C27H49N6O12P/c1-12-19(34)15(13(7-33-12)10-42-46(38,39)40)9-32-8-14-4-5-16(28)25(43-14)44-22-17(29)6-18(30)23(20(22)35)45-26-21(36)24(31-3)27(2,37)11-41-26/h7,14,16-18,20-26,31-32,34-37H,4-6,8-11,28-30H2,1-3H3,(H2,38,39,40)/t14-,16+,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m0/s1 | | Definition date: | 2021-03-30 | | Last modified: | 2024-09-27 | | Release date: | 2021-09-22 | | Identifier: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside |
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 | | SSH | | Name: | 3-DEOXY-D-ARABINO-HEXONIC ACID | | Formula: | C6 H12 O6 | | SMILES: | O=C(O)C(O)CC(O)C(O)CO | | InChi: | InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1 | | Synonyms: | D-2-KETO-3-DEOXYGLUCONATE | | Definition date: | 2004-07-17 | | Last modified: | 2024-09-27 | | Identifier: | 3-deoxy-D-arabino-hexonic acid |
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 | | QS7 | | Name: | N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide | | Formula: | C23 H23 Cl2 N5 O5 | | SMILES: | c13nc(ncc1C=C(c2c(c(OC)cc(c2Cl)OC)Cl)C(N3C)=O)NC4C(COC4)NC(=O)[C@H]=C | | InChi: | InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 | | Definition date: | 2019-12-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide |
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 | | ZGE | | Name: | 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid | | Formula: | C12 H19 F N4 O7 | | SMILES: | O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O | | InChi: | InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1 | | Synonyms: | (2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb
oxylic acid | | Definition date: | 2012-10-31 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-01 | | Identifier: | 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid |
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 | | Y1Y | | Name: | 3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid | | Formula: | C11 H15 N O5 S | | SMILES: | Cc1sc(cc1)C(=O)OCC(C(N)CC(O)=O)O | | InChi: | InChI=1S/C11H15NO5S/c1-6-2-3-9(18-6)11(16)17-5-8(13)7(12)4-10(14)15/h2-3,7-8,13H,4-5,12H2,1H3,(H,14,15)/t7-,8+/m0/s1 | | Definition date: | 2020-06-02 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-02 | | Identifier: | 3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid |
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 | | ZGL | | Name: | D-alpha-glutamine | | Formula: | C5 H10 N2 O3 | | SMILES: | O=C(N)C(N)CCC(=O)O | | InChi: | InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1 | | Synonyms: | Iso-D-glutamine | | Definition date: | 2011-10-27 | | Last modified: | 2024-09-27 | | Identifier: | D-alpha-glutamine |
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 | | XPL | | Name: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine | | Formula: | C12 H24 N4 O3 | | SMILES: | O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C | | InChi: | InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1 | | Synonyms: | 4-amino reduced pyrrolysine | | Definition date: | 2014-07-30 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine |
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 | | UFY | | Name: | N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide | | Formula: | C19 H25 B N4 O4 | | SMILES: | c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O | | InChi: | InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1 | | Definition date: | 2020-05-15 | | Last modified: | 2024-09-27 | | Release date: | 2021-04-14 | | Identifier: | N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide |
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 | | W2P | | Name: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide | | Formula: | C27 H28 Cl F3 N6 O2 | | SMILES: | FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc2ncnc3c2n(cc3)CCNC(=O)CCCN(C)C)ccc4 | | InChi: | InChI=1S/C27H28ClF3N6O2/c1-36(2)12-4-7-24(38)32-11-14-37-13-10-22-25(37)26(34-17-33-22)35-19-8-9-23(21(28)16-19)39-20-6-3-5-18(15-20)27(29,30)31/h3,5-6,8-10,13,15-17H,4,7,11-12,14H2,1-2H3,(H,32,38)(H,33,34,35) | | Definition date: | 2012-12-06 | | Last modified: | 2024-09-27 | | Release date: | 2013-01-11 | | Identifier: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide |
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 | | AMU | | Name: | N-acetyl-beta-muramic acid | | Formula: | C11 H19 N O8 | | SMILES: | O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C | | InChi: | InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1 | | Synonyms: | N-acetyl-muramic acid | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose |
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