 | | 31O | | Name: | methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate | | Formula: | C22 H21 Cl N4 O3 | | SMILES: | O=C(OC)C(C)C3N=C(c1c(ccc(OC)c1)n2c(nnc23)C)c4ccc(Cl)cc4 | | InChi: | InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1 | | Definition date: | 2014-05-20 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate |
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 | | 31P | | Name: | methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate | | Formula: | C23 H23 Cl N4 O3 | | SMILES: | O=C(OC)C(CC)C3N=C(c1c(ccc(OC)c1)n2c(nnc23)C)c4ccc(Cl)cc4 | | InChi: | InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1 | | Definition date: | 2014-05-20 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate |
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 | | 3MW | | Name: | 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide | | Formula: | C18 H17 N5 O3 | | SMILES: | O=C(NO)C(c1ccc(cc1)n2nccc2)NC(=O)c3ccc(N)cc3 | | InChi: | InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)/t16-/m1/s1 | | Definition date: | 2014-09-24 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide |
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 | | 3P2 | | Name: | N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine | | Formula: | C21 H23 N5 O | | SMILES: | n1ccn2c(NC(C)(C)C)c(nc2c1)c4ccc(c3c(onc3C)C)cc4 | | InChi: | InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3 | | Definition date: | 2014-09-30 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine |
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 | | 3SO | | Name: | {5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate | | Formula: | C19 H19 N2 O6 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1C=CC(=O)Cc3c2ccccc2nc3)C | | InChi: | InChI=1S/C19H19N2O6P/c1-12-19(23)17(14(10-20-12)11-27-28(24,25)26)7-6-15(22)8-13-9-21-18-5-3-2-4-16(13)18/h2-7,9-10,21,23H,8,11H2,1H3,(H2,24,25,26)/b7-6+ | | Definition date: | 2014-10-20 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | {5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate |
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 | | 37O | | Name: | N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide | | Formula: | C35 H40 N8 O4 | | SMILES: | O=C(Nc1ccc(cc1)CN4c2nc(ncc2CN(c3cc(OC)cc(OC)c3)C4=O)Nc5ccc(cc5)N6CCN(C)CC6)CC | | InChi: | InChI=1S/C35H40N8O4/c1-5-32(44)37-26-8-6-24(7-9-26)22-43-33-25(23-42(35(43)45)29-18-30(46-3)20-31(19-29)47-4)21-36-34(39-33)38-27-10-12-28(13-11-27)41-16-14-40(2)15-17-41/h6-13,18-21H,5,14-17,22-23H2,1-4H3,(H,37,44)(H,36,38,39) | | Definition date: | 2014-07-01 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide |
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 | | 39O | | Name: | 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one | | Formula: | C10 H13 N3 O | | SMILES: | O=C2N(c1cc(c(cc1N2C)N)C)C | | InChi: | InChI=1S/C10H13N3O/c1-6-4-8-9(5-7(6)11)13(3)10(14)12(8)2/h4-5H,11H2,1-3H3 | | Definition date: | 2014-07-11 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one |
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 | | 39R | | Name: | 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline | | Formula: | C14 H12 N4 | | SMILES: | n2nc(c1cc(ccc1)N)nc2c3ccccc3 | | InChi: | InChI=1S/C14H12N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H,15H2,(H,16,17,18) | | Definition date: | 2014-07-11 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline |
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 | | 39U | | Name: | 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one | | Formula: | C9 H13 N3 O S | | SMILES: | O=C1NCC(Cc2nc(sc12)N)(C)C | | InChi: | InChI=1S/C9H13N3OS/c1-9(2)3-5-6(7(13)11-4-9)14-8(10)12-5/h3-4H2,1-2H3,(H2,10,12)(H,11,13) | | Definition date: | 2014-07-11 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one |
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 | | 4BN | | Name: | 3-oxo-4-pregnene-20-carboxyl-Coenzyme A | | Formula: | C43 H66 N7 O18 P3 S | | SMILES: | O=C7C=C6CCC5C(CCC1(C)C5CCC1C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O)C)C6(C)CC7 | | InChi: | InChI=1S/C43H66N7O18P3S/c1-23(27-8-9-28-26-7-6-24-18-25(51)10-13-42(24,4)29(26)11-14-43(27,28)5)40(56)72-17-16-45-31(52)12-15-46-38(55)35(54)41(2,3)20-65-71(62,63)68-70(60,61)64-19-30-34(67-69(57,58)59)33(53)39(66-30)50-22-49-32-36(44)47-21-48-37(32)50/h18,21-23,26-30,33-35,39,53-54H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t23-,26-,27+,28-,29-,30+,33+,34+,35-,39+,42-,43+/m0/s1 | | Definition date: | 2014-10-15 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name) |
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 | | FI3 | | Name: | N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide | | Formula: | C34 H38 Cl2 N8 O4 | | SMILES: | Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)Nc3ccc(cc3)N4CCN(C)CC4)Cc5ccc(NC(=O)CC)cc5 | | InChi: | InChI=1S/C34H38Cl2N8O4/c1-5-30(45)40-24-8-6-22(7-9-24)20-44(34(46)41-33-31(35)26(47-3)18-27(48-4)32(33)36)29-19-28(37-21-38-29)39-23-10-12-25(13-11-23)43-16-14-42(2)15-17-43/h6-13,18-19,21H,5,14-17,20H2,1-4H3,(H,40,45)(H,41,46)(H,37,38,39) | | Definition date: | 2014-09-02 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide |
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 | | 2FC | | Name: | N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide | | Formula: | C23 H28 N4 O2 | | SMILES: | O=C(N1CCN(C)CC1)Nc2cc4c(cc2)CCCC4NC(=O)c3ccccc3 | | InChi: | InChI=1S/C23H28N4O2/c1-26-12-14-27(15-13-26)23(29)24-19-11-10-17-8-5-9-21(20(17)16-19)25-22(28)18-6-3-2-4-7-18/h2-4,6-7,10-11,16,21H,5,8-9,12-15H2,1H3,(H,24,29)(H,25,28)/t21-/m1/s1 | | Definition date: | 2014-03-25 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide |
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 | | 2FZ | | Name: | (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate | | Formula: | C25 H29 F N4 O5 | | SMILES: | Fc1ccc(cc1)C(=O)NC4c5cc(N2CCN(CC2)C3COC3)ccc5OCC4OC(=O)NC | | InChi: | InChI=1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1 | | Definition date: | 2014-03-25 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate |
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 | | 2N8 | | Name: | (2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide | | Formula: | C19 H20 Cl N3 O4 S | | SMILES: | O=C(Nc1nccnc1)C(c2ccc(c(Cl)c2)S(=O)(=O)C)CC3CC(=O)CC3 | | InChi: | InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1 | | Definition date: | 2013-12-09 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | (2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide |
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 | | IUP | | Name: | 5-(HYDRO)PEROXOISOURATE | | Formula: | C5 H4 N4 O5 | | SMILES: | O=C2N=C1NC(=O)NC(=O)C1(OO)N2 | | InChi: | InChI=1S/C5H4N4O5/c10-2-5(14-13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)/t5-/m0/s1 | | Definition date: | 2014-05-01 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | (5S)-5-hydroperoxy-5,7-dihydro-1H-purine-2,6,8(3H)-trione |
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 | | XG1 | | Name: | 2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine | | Formula: | C14 H16 N4 | | SMILES: | n2c3c(c1cn(nc1c2N)CCCC)cccc3 | | InChi: | InChI=1S/C14H16N4/c1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18/h4-7,9H,2-3,8H2,1H3,(H2,15,16) | | Definition date: | 2014-05-19 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | 2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine |
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 | | PJZ | | Name: | (2R)-2-(dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-pentadeca-4,6,8,10,12-pentaenoate | | Formula: | C30 H48 O4 | | SMILES: | O=C(OC(C)COC(=O)CCC=CC=CC=CC=CC=CCC)CCCCCCCCCCC | | InChi: | InChI=1S/C30H48O4/c1-4-6-8-10-12-14-15-16-18-19-21-23-25-29(31)33-27-28(3)34-30(32)26-24-22-20-17-13-11-9-7-5-2/h6,8,10,12,14-16,18-19,21,28H,4-5,7,9,11,13,17,20,22-27H2,1-3H3/b8-6+,12-10+,15-14+,18-16+,21-19+/t28-/m1/s1 | | Definition date: | 2014-05-12 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | (2R)-2-(dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-pentadeca-4,6,8,10,12-pentaenoate |
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 | | RMM | | Name: | (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide | | Formula: | C13 H10 N4 O | | SMILES: | N#C/C(C(=O)N)=Cc1cccc(c1)c2cnnc2 | | InChi: | InChI=1S/C13H10N4O/c14-6-11(13(15)18)5-9-2-1-3-10(4-9)12-7-16-17-8-12/h1-5,7-8H,(H2,15,18)(H,16,17)/b11-5+ | | Definition date: | 2013-09-09 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide |
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 | | 0V0 | | Name: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium | | Formula: | C21 H21 N2 O2 | | SMILES: | O(c3c(ccc(OCC#Cc1cc2c(cc1)ccnc2)c3)C[NH3+])CC | | InChi: | InChI=1S/C21H20N2O2/c1-2-24-21-13-20(8-7-18(21)14-22)25-11-3-4-16-5-6-17-9-10-23-15-19(17)12-16/h5-10,12-13,15H,2,11,14,22H2,1H3/p+1 | | Definition date: | 2014-05-21 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium |
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 | | 30N | | Name: | (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name) | | Formula: | C21 H36 N7 O18 P3 S | | SMILES: | O=S(O)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C21H36N7O18P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-50(40)41)8-43-49(38,39)46-48(36,37)42-7-11-15(45-47(33,34)35)14(30)20(44-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H,40,41)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 | | Definition date: | 2014-05-13 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name) |
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 | | 35H | | Name: | N-{4-[(1S)-1,2-dihydroxyethyl]benzyl}-N-methyl-4-(phenylsulfamoyl)benzamide | | Formula: | C23 H24 N2 O5 S | | SMILES: | O=S(=O)(Nc1ccccc1)c3ccc(C(=O)N(Cc2ccc(cc2)C(O)CO)C)cc3 | | InChi: | InChI=1S/C23H24N2O5S/c1-25(15-17-7-9-18(10-8-17)22(27)16-26)23(28)19-11-13-21(14-12-19)31(29,30)24-20-5-3-2-4-6-20/h2-14,22,24,26-27H,15-16H2,1H3/t22-/m1/s1 | | Definition date: | 2014-06-18 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | N-{4-[(1S)-1,2-dihydroxyethyl]benzyl}-N-methyl-4-(phenylsulfamoyl)benzamide |
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 | | 1P0 | | Name: | 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol | | Formula: | C15 H24 N10 O3 | | SMILES: | OCCn1nnc(c1)CN(Cc2nnn(c2)CCO)Cc3nnn(c3)CCO | | InChi: | InChI=1S/C15H24N10O3/c26-4-1-23-10-13(16-19-23)7-22(8-14-11-24(2-5-27)20-17-14)9-15-12-25(3-6-28)21-18-15/h10-12,26-28H,1-9H2 | | Definition date: | 2013-04-18 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol |
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 | | 1P4 | | Name: | 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol | | Formula: | C18 H30 N10 O3 | | SMILES: | OCCCn1nnc(c1)CN(Cc2nnn(c2)CCCO)Cc3nnn(c3)CCCO | | InChi: | InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2 | | Definition date: | 2013-04-18 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol |
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 | | 1TT | | Name: | (8S)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-4-one | | Formula: | C19 H23 Cl F3 N5 O2 | | SMILES: | FC(F)(F)C3N(C2N=C(N1C(COCC1)C)CC(=O)N2CC3)Cc4cc(Cl)cnc4 | | InChi: | InChI=1S/C19H23ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6,8-9,12,15,18H,2-5,7,10-11H2,1H3/t12-,15+,18+/m1/s1 | | Definition date: | 2014-02-14 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | (8S,9aS)-9-[(5-chloropyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-3,6,7,8,9,9a-hexahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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 | | A62 | | Name: | (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one | | Formula: | C21 H23 Cl2 N O3 | | SMILES: | O=C(N2CC(c1ccc(Cl)cc1)C(CO)C2)CC(O)Cc3ccc(Cl)cc3 | | InChi: | InChI=1S/C21H23Cl2NO3/c22-17-5-1-14(2-6-17)9-19(26)10-21(27)24-11-16(13-25)20(12-24)15-3-7-18(23)8-4-15/h1-8,16,19-20,25-26H,9-13H2/t16-,19-,20-/m1/s1 | | Definition date: | 2014-04-15 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one |
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