 | | 8HD | | Name: | N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide | | Formula: | C35 H42 N4 O7 S | | SMILES: | c4(ccc(S(=O)(N(CC(C)C)CC(O)C(NC(=O)c1cccc(c1)C(=O)N(C)Cc2nc(co2)C)Cc3ccccc3)=O)cc4)CO | | InChi: | InChI=1S/C35H42N4O7S/c1-24(2)19-39(47(44,45)30-15-13-27(22-40)14-16-30)20-32(41)31(17-26-9-6-5-7-10-26)37-34(42)28-11-8-12-29(18-28)35(43)38(4)21-33-36-25(3)23-46-33/h5-16,18,23-24,31-32,40-41H,17,19-22H2,1-4H3,(H,37,42)/t31-,32+/m0/s1 | | Definition date: | 2017-02-06 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide |
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 | | 7AZ | | Name: | phosphonato-calix[6]arene | | Formula: | C42 H42 O24 P6 | | SMILES: | Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)[P](O)(O)=O)c7O)[P](O)(O)=O)c6O)[P](O)(O)=O)c5O)[P](O)(O)=O)c4O)[P](O)(O)=O)c3O)[P](O)(O)=O | | InChi: | InChI=1S/C42H42O24P6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66) | | Definition date: | 2016-09-27 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 |
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 | | 8XJ | | Name: | 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide | | Formula: | C31 H24 F2 N4 O3 | | SMILES: | c1cc(cc(c1C)c2c(F)c4c(cc2)oc(c3ccc(F)cc3)c4C(NC)=O)C(=O)NC6(c5ncccn5)CC6 | | InChi: | InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38) | | Definition date: | 2017-03-17 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide |
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 | | 8XM | | Name: | 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide | | Formula: | C29 H24 F N5 O4 S | | SMILES: | c1(cccc(c1)C(NC(C)(C(Nc2nncs2)=O)C)=O)c3cc5c(cc3)oc(c4ccc(cc4)F)c5C(NC)=O | | InChi: | InChI=1S/C29H24FN5O4S/c1-29(2,27(38)33-28-35-32-15-40-28)34-25(36)19-6-4-5-17(13-19)18-9-12-22-21(14-18)23(26(37)31-3)24(39-22)16-7-10-20(30)11-8-16/h4-15H,1-3H3,(H,31,37)(H,34,36)(H,33,35,38) | | Definition date: | 2017-03-17 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide |
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 | | 8XP | | Name: | 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide | | Formula: | C27 H25 F N2 O3 | | SMILES: | c1(cccc(C(NC(C)(C)C)=O)c1)c2cc4c(cc2)oc(c3ccc(cc3)F)c4C(NC)=O | | InChi: | InChI=1S/C27H25FN2O3/c1-27(2,3)30-25(31)19-7-5-6-17(14-19)18-10-13-22-21(15-18)23(26(32)29-4)24(33-22)16-8-11-20(28)12-9-16/h5-15H,1-4H3,(H,29,32)(H,30,31) | | Definition date: | 2017-03-17 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide |
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 | | 8XS | | Name: | 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid | | Formula: | C23 H16 F N O4 | | SMILES: | c1c(C(O)=O)cccc1c4ccc2c(c(c(o2)c3ccc(cc3)F)C(=O)NC)c4 | | InChi: | InChI=1S/C23H16FNO4/c1-25-22(26)20-18-12-15(14-3-2-4-16(11-14)23(27)28)7-10-19(18)29-21(20)13-5-8-17(24)9-6-13/h2-12H,1H3,(H,25,26)(H,27,28) | | Definition date: | 2017-03-17 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid |
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 | | 8XV | | Name: | 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide | | Formula: | C23 H21 F N4 O6 S | | SMILES: | c15c(C(O)=C(C(=O)N1CCC2CC2)C4=NS(c3cc(ccc3N4)OCC(=O)N)(=O)=O)cc(cc5)F | | InChi: | InChI=1S/C23H21FN4O6S/c24-13-3-6-17-15(9-13)21(30)20(23(31)28(17)8-7-12-1-2-12)22-26-16-5-4-14(34-11-19(25)29)10-18(16)35(32,33)27-22/h3-6,9-10,12,30H,1-2,7-8,11H2,(H2,25,29)(H,26,27) | | Definition date: | 2017-03-17 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide |
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 | | 90S | | Name: | [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone | | Formula: | C14 H18 Br N5 O | | SMILES: | c3(cc(C(=O)N2CCC(n1cc(cn1)Br)C2)nn3)C(C)C | | InChi: | InChI=1S/C14H18BrN5O/c1-9(2)12-5-13(18-17-12)14(21)19-4-3-11(8-19)20-7-10(15)6-16-20/h5-7,9,11H,3-4,8H2,1-2H3,(H,17,18)/t11-/m0/s1 | | Definition date: | 2017-03-24 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone |
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 | | 90V | | Name: | N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide | | Formula: | C15 H22 N4 O2 | | SMILES: | c1(C(C)C)nnc(c1)C(N2CCC(C2)NC(C3CC3)=O)=O | | InChi: | InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1 | | Definition date: | 2017-03-24 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide |
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 | | 91J | | Name: | 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | | Formula: | C17 H24 N4 O S | | SMILES: | C1CN(CCC1CNC3=Nc2sc4CCCCc4c2C(N3)=O)C | | InChi: | InChI=1S/C17H24N4OS/c1-21-8-6-11(7-9-21)10-18-17-19-15(22)14-12-4-2-3-5-13(12)23-16(14)20-17/h11H,2-10H2,1H3,(H2,18,19,20,22) | | Definition date: | 2017-03-27 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
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 | | 96Y | | Name: | 1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine | | Formula: | C21 H19 F2 N7 | | SMILES: | c2c1n(ncc1cnc2c3nc(C)cnc3)c5cccc(C4C(CCNC4)(F)F)n5 | | InChi: | InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3/t15-/m1/s1 | | Definition date: | 2017-04-04 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine |
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 | | 6G0 | | Name: | 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine | | Formula: | C11 H20 N5 O17 P4 | | SMILES: | C2(=Nc1n(c[n+](c1C(N2)=O)C)C3OC(COP(OP(OP(OP(=O)(O)O)(=O)O)(=O)O)(O)=O)C(C3O)O)N | | InChi: | InChI=1S/C11H19N5O17P4/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(30-10)2-29-35(23,24)32-37(27,28)33-36(25,26)31-34(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H7-,12,13,14,19,20,21,22,23,24,25,26,27,28)/p+1/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2016-04-04 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine |
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 | | 810 | | Name: | ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl]carbamate | | Formula: | C13 H14 N6 O3 | | SMILES: | O=C1NC(=Nc3c1cc2nc(nc2c3)NC)NC(=O)OCC | | InChi: | InChI=1S/C13H14N6O3/c1-3-22-13(21)19-12-15-7-5-9-8(16-11(14-2)17-9)4-6(7)10(20)18-12/h4-5H,3H2,1-2H3,(H2,14,16,17)(H2,15,18,19,20,21) | | Definition date: | 2016-04-20 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl]carbamate |
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 | | 6JX | | Name: | allyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate | | Formula: | C14 H14 N6 O3 | | SMILES: | c3(nc1c(cc2c(c1)N=C(NC2=O)NC(=O)OC[C@H]=C)n3)NC | | InChi: | InChI=1S/C14H14N6O3/c1-3-4-23-14(22)20-13-16-8-6-10-9(17-12(15-2)18-10)5-7(8)11(21)19-13/h3,5-6H,1,4H2,2H3,(H2,15,17,18)(H2,16,19,20,21,22) | | Definition date: | 2016-04-20 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | prop-2-en-1-yl [2-(methylamino)-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-6-yl]carbamate |
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 | | 6JY | | Name: | N~2~-(benzenecarbonyl)-L-arginine | | Formula: | C13 H18 N4 O3 | | SMILES: | N/C(NCCCC(NC(=O)c1ccccc1)C(=O)O)=N | | InChi: | InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m0/s1 | | Definition date: | 2016-04-20 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | N~2~-(benzenecarbonyl)-L-arginine |
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 | | 6LC | | Name: | 9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine | | Formula: | C13 H18 N8 O3 | | SMILES: | C(CN/C(N)=N)=[C@H]C1C(O)C(O)C(O1)n2cnc3c2ncnc3N | | InChi: | InChI=1S/C13H18N8O3/c14-10-7-11(19-4-18-10)21(5-20-7)12-9(23)8(22)6(24-12)2-1-3-17-13(15)16/h1-2,4-6,8-9,12,22-23H,3H2,(H2,14,18,19)(H4,15,16,17)/b2-1+/t6-,8-,9-,12-/m1/s1 | | Definition date: | 2016-04-29 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine |
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 | | 6P9 | | Name: | [2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone) | | Formula: | C36 H51 N5 O2 | | SMILES: | C1CC(CCN1C(=O)c5c(Nc2ccccc2)cc(C(=O)N4CCC(CCN3CCCC3)CC4)cc5)CCN6CCCC6 | | InChi: | InChI=1S/C36H51N5O2/c42-35(40-24-14-29(15-25-40)12-22-38-18-4-5-19-38)31-10-11-33(34(28-31)37-32-8-2-1-3-9-32)36(43)41-26-16-30(17-27-41)13-23-39-20-6-7-21-39/h1-3,8-11,28-30,37H,4-7,12-27H2 | | Definition date: | 2016-05-18 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | [2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone) |
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 | | 6TW | | Name: | [(2~{R},3~{S},5~{R})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite | | Formula: | C22 H23 N6 O7 P | | SMILES: | CC(=O)Nc1cc2ccccc2cc1NC3=Nc4n(cnc4C(=O)N3)[CH]5C[CH](O)[CH](COP(O)O)O5 | | InChi: | InChI=1S/C22H23N6O7P/c1-11(29)24-14-6-12-4-2-3-5-13(12)7-15(14)25-22-26-20-19(21(31)27-22)23-10-28(20)18-8-16(30)17(35-18)9-34-36(32)33/h2-7,10,16-18,30,32-33H,8-9H2,1H3,(H,24,29)(H2,25,26,27,31)/t16-,17+,18+/m0/s1 | | Definition date: | 2016-06-22 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | [(2~{R},3~{S},5~{R})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
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 | | 4ZS | | Name: | N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide | | Formula: | C26 H30 F N7 O2 S | | SMILES: | c4(c2n1c(cc(c(c1)C)CN(C)C)nc2c3cc(c(cc3)F)NS(=O)(=O)C)nc(ncc4)NCC5CC5 | | InChi: | InChI=1S/C26H30FN7O2S/c1-16-14-34-23(12-19(16)15-33(2)3)31-24(18-7-8-20(27)22(11-18)32-37(4,35)36)25(34)21-9-10-28-26(30-21)29-13-17-5-6-17/h7-12,14,17,32H,5-6,13,15H2,1-4H3,(H,28,29,30) | | Definition date: | 2015-07-02 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide |
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 | | 3B2 | | Name: | (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate | | Formula: | C23 H36 N5 O10 P S2 | | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CSCc1noc(c1)CSCc2noc(c2)C | | InChi: | InChI=1S/C23H36N5O10PS2/c1-15-8-16(27-37-15)10-40-12-18-9-17(28-38-18)11-41-13-20(30)25-7-6-24-19(29)4-5-26-22(32)21(31)23(2,3)14-36-39(33,34)35/h8-9,21,31H,4-7,10-14H2,1-3H3,(H,24,29)(H,25,30)(H,26,32)(H2,33,34,35)/t21-/m0/s1 | | Definition date: | 2014-07-16 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate |
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 | | 4I8 | | Name: | methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate | | Formula: | C9 H7 N O4 | | SMILES: | COC(=O)c1ccc2NC(=O)Oc2c1 | | InChi: | InChI=1S/C9H7NO4/c1-13-8(11)5-2-3-6-7(4-5)14-9(12)10-6/h2-4H,1H3,(H,10,12) | | Definition date: | 2016-12-20 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate |
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 | | RXZ | | Name: | SPHINX31 | | Formula: | C27 H24 F3 N5 O2 | | SMILES: | FC(F)(F)c1ccc(N2CCN(CC2)Cc3ccccn3)c(NC(=O)c4oc(cc4)c5ccncc5)c1 | | InChi: | InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36) | | Definition date: | 2017-01-26 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 5-pyridin-4-yl-~{N}-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide |
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 | | W4A | | Name: | 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide | | Formula: | C18 H20 F3 N3 O2 | | SMILES: | CN1CCN(CC1)c2ccc(cc2NC(=O)c3oc(C)cc3)C(F)(F)F | | InChi: | InChI=1S/C18H20F3N3O2/c1-12-3-6-16(26-12)17(25)22-14-11-13(18(19,20)21)4-5-15(14)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,22,25) | | Definition date: | 2017-01-25 | | Last modified: | 2017-05-05 | | Release date: | 2017-05-10 | | Identifier: | 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide |
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 | | HEQ | | Name: | 3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-OCTADECA-1,3,5,7,9,11,13,15, 17-NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-2-ENONE | | Formula: | C40 H54 O2 | | SMILES: | CC1(C)CC(O)CC(C)=C1C=CC(C)=CC=CC(C)=CC=CC=C(/C)C=CC=C(/C)C=CC2=C(C)C(=O)CCC2(C)C | | InChi: | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m0/s1 | | Synonyms: | 3-HYDROXYECHINENONE | | Definition date: | 2002-07-29 | | Last modified: | 2017-05-03 | | Identifier: | (3'S)-3'-hydroxy-beta,beta-caroten-4-one |
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 | | IUU | | Name: | 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine | | Formula: | C9 H7 Cl F N5 O2 | | SMILES: | Nc1nonc1C(Nc2ccc(F)c(Cl)c2)=NO | | InChi: | InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14) | | Definition date: | 2017-04-13 | | Last modified: | 2017-04-28 | | Release date: | 2017-05-03 | | Identifier: | 4-azanyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-~{N}'-oxidanyl-1,2,5-oxadiazole-3-carboximidamide |
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