 | | FIX | | Name: | D-fructuronic acid | | Formula: | C6 H8 O7 | | SMILES: | O=C(O)C(O)C(O)C(O)C(=O)C=O | | InChi: | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1,3-5,9-11H,(H,12,13)/t3-,4+,5+/m1/s1 | | Synonyms: | D-Fructuronate | | Definition date: | 2009-05-26 | | Last modified: | 2021-03-01 | | Identifier: | D-fructosuronic acid |
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 | | FK5 | | Name: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | | Formula: | C44 H69 N O12 | | SMILES: | O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C4OC3(O)C(C)CC4OC)C)C)CC=C | | InChi: | InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 | | Synonyms: | K506 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone |
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 | | FLI | | Name: | (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,28R)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one | | Formula: | C35 H58 O9 | | SMILES: | CCCCCC[CH]1[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C(=CC=CC=CC=CC=CC[CH](C)OC1=O)C | | InChi: | InChI=1S/C35H58O9/c1-4-5-6-15-18-32-34(42)24-31(40)22-29(38)20-27(36)19-28(37)21-30(39)23-33(41)25(2)16-13-11-9-7-8-10-12-14-17-26(3)44-35(32)43/h7-14,16,26-34,36-42H,4-6,15,17-24H2,1-3H3/b9-7+,10-8+,13-11+,14-12+,25-16+/t26-,27+,28-,29+,30-,31+,32-,33+,34+/m1/s1 | | Synonyms: | Filipin I | | Definition date: | 2009-12-09 | | Last modified: | 2021-03-01 | | Identifier: | (3R,5E,7E,9E,11E,13E,15S,17R,19R,21R,23S,25S,27S,28R)-28-hexyl-15,17,19,21,23,25,27-heptahydroxy-3,14-dimethyl-2-oxacyclooctacosa-5,7,9,11,13-pentaen-1-one |
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 | | FLQ | | Name: | N-[6-(ACETYLAMINO)HEXYL]-3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXAMIDE | | Formula: | C29 H28 N2 O7 | | SMILES: | O=C(NCCCCCCNC(=O)c5cc1c(C(=O)OC13c4ccc(O)cc4Oc2cc(O)ccc23)cc5)C | | InChi: | InChI=1S/C29H28N2O7/c1-17(32)30-12-4-2-3-5-13-31-27(35)18-6-9-21-24(14-18)29(38-28(21)36)22-10-7-19(33)15-25(22)37-26-16-20(34)8-11-23(26)29/h6-11,14-16,33-34H,2-5,12-13H2,1H3,(H,30,32)(H,31,35) | | Synonyms: | FLUORESCEIN ADDUCT | | Definition date: | 2006-01-23 | | Last modified: | 2021-03-01 | | Identifier: | N-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide |
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 | | FM0 | | Name: | (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid | | Formula: | C6 H13 F O10 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCCC(O)(CC(=O)O)CF)O | | InChi: | InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1 | | Synonyms: | 6-fluoromevalonate 5-diphosphate | | Definition date: | 2011-02-24 | | Last modified: | 2021-03-01 | | Identifier: | (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid |
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 | | FN1 | | Name: | 5-fluoronicotine | | Formula: | C10 H13 F N2 | | SMILES: | Fc1cncc(c1)C2CCCN2C | | InChi: | InChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1 | | Synonyms: | 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine | | Definition date: | 2015-05-28 | | Last modified: | 2021-03-01 | | Release date: | 2015-06-24 | | Identifier: | 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
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 | | CTV | | Name: | (2Z)-3,7-dimethylocta-2,6-dienenitrile | | Formula: | C10 H15 N | | SMILES: | N#CC=C(/CC/C=C(/C)C)C | | InChi: | InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7- | | Synonyms: | citralva | | Definition date: | 2011-05-17 | | Last modified: | 2021-03-01 | | Identifier: | (2Z)-3,7-dimethylocta-2,6-dienenitrile |
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 | | CTX | | Name: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE | | Formula: | C26 H29 N O | | SMILES: | O(c1ccc(cc1)/C(c2ccccc2)=C(c3ccccc3)CC)CCN(C)C | | InChi: | InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- | | Synonyms: | TRANS FORM OF TAMOXIFEN | | Definition date: | 2005-01-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine |
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 | | CVD | | Name: | (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL | | Formula: | C24 H26 N2 O4 | | SMILES: | O(c4ccccc4OCCNCC(O)COc3cccc2c3c1c(cccc1)n2)C | | InChi: | InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1 | | Synonyms: | CARVEDILOL | | Definition date: | 2012-03-12 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol |
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 | | CVM | | Name: | CYMAL-4 | | Formula: | C22 H40 O11 | | SMILES: | O(CCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C22H40O11/c23-10-13-15(25)16(26)18(28)22(31-13)33-20-14(11-24)32-21(19(29)17(20)27)30-9-5-4-8-12-6-2-1-3-7-12/h12-29H,1-11H2/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1 | | Synonyms: | 4-CYCLOHEXYLBUTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2009-05-11 | | Last modified: | 2021-03-01 | | Identifier: | 4-cyclohexylbutyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | CWB | | Name: | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide | | Formula: | C18 H24 N4 O | | SMILES: | O=C(c2nn(c1ccccc12)C)NC4CC3N(C)C(CCC3)C4 | | InChi: | InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14- | | Synonyms: | GRANISETRON | | Definition date: | 2012-10-09 | | Last modified: | 2021-03-01 | | Release date: | 2012-12-21 | | Identifier: | 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide |
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 | | CWD | | Name: | 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine | | Formula: | C7 H8 Cl N3 O4 | | SMILES: | O=C(O)C(N)CN1C=C(Cl)C(=O)NC1=O | | InChi: | InChI=1S/C7H8ClN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 | | Synonyms: | chlorowillardiine | | Definition date: | 2011-05-04 | | Last modified: | 2021-03-01 | | Identifier: | 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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 | | CWT | | Name: | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one | | Formula: | C15 H17 N3 O3 | | SMILES: | O=C1N(C(=N/C1=Cc2ccc3OCOc3c2)NC(C)C)C | | InChi: | InChI=1S/C15H17N3O3/c1-9(2)16-15-17-11(14(19)18(15)3)6-10-4-5-12-13(7-10)21-8-20-12/h4-7,9H,8H2,1-3H3,(H,16,17)/b11-6- | | Synonyms: | Leucettine L4 | | Definition date: | 2012-08-22 | | Last modified: | 2021-03-01 | | Release date: | 2013-01-25 | | Identifier: | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)-3,5-dihydro-4H-imidazol-4-one |
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 | | CY9 | | Name: | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate | | Formula: | C30 H37 N O6 | | SMILES: | O=C1NC(C3C12C(C=CCC(C(=O)C(O)(C=CC2OC(=O)C)C)C)C(O)/C(=C)C3C)Cc4ccccc4 | | InChi: | InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1 | | Synonyms: | Cytochalasin D | | Definition date: | 2008-09-25 | | Last modified: | 2021-03-01 | | Identifier: | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate |
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 | | CZE | | Name: | (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid | | Formula: | C21 H25 Cl N2 O3 | | SMILES: | OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl | | InChi: | InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1 | | Synonyms: | (S)-dextrocetirizine | | Definition date: | 2015-09-16 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-23 | | Identifier: | (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid |
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 | | CZI | | Name: | (2R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(4-IODOBENZYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE | | Formula: | C26 H22 I N3 O4 | | SMILES: | Ic1ccc(cc1)CC5(OO)N=C2N(C=C(NC2Cc3ccccc3)c4ccc(O)cc4)C5=O | | InChi: | InChI=1S/C26H22IN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26+/m1/s1 | | Synonyms: | I-COELENETERAZINE | | Definition date: | 2003-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (2S,8R)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one |
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 | | CZN | | Name: | (2S,8R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(2-NAPHTHYLMETHYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE | | Formula: | C30 H25 N3 O4 | | SMILES: | O=C1N4C=C(NC(C4=NC1(OO)Cc3cc2ccccc2cc3)Cc5ccccc5)c6ccc(O)cc6 | | InChi: | InChI=1S/C30H25N3O4/c34-25-14-12-23(13-15-25)27-19-33-28(26(31-27)17-20-6-2-1-3-7-20)32-30(37-36,29(33)35)18-21-10-11-22-8-4-5-9-24(22)16-21/h1-16,19,26,31,34,36H,17-18H2/t26-,30-/m0/s1 | | Synonyms: | N-COELENETERAZINE | | Definition date: | 2003-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (2S,8S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(naphthalen-2-ylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one |
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 | | D05 | | Name: | 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE | | Formula: | C20 H15 Cl3 N4 O3 | | SMILES: | Clc1cc(Cl)cc(Cl)c1n4nc(c2c4N=C(NC2=O)Cc3ccc(O)c(O)c3)CC | | InChi: | InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30) | | Synonyms: | DIN-232305 | | Definition date: | 2005-09-28 | | Last modified: | 2021-03-01 | | Identifier: | 6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | D0F | | Name: | (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid | | Formula: | C23 H32 N2 O4 | | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)CCC3CCCCC3 | | InChi: | InChI=1S/C23H32N2O4/c26-21(14-13-17-8-3-1-4-9-17)25-15-7-12-20(25)22(27)24-19(23(28)29)16-18-10-5-2-6-11-18/h2,5-6,10-11,17,19-20H,1,3-4,7-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1 | | Synonyms: | N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine | | Definition date: | 2019-05-29 | | Last modified: | 2021-03-01 | | Release date: | 2020-05-27 | | Identifier: | (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid |
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 | | D0R | | Name: | N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide | | Formula: | C32 H45 N5 O3 S | | SMILES: | O=C(NC(Cc1ccccc1)CC(O)C(N)Cc2ccccc2)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C | | InChi: | InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1 | | Synonyms: | desthiazolylmethyloxycarbonyl ritonavir | | Definition date: | 2011-08-26 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide |
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 | | D19 | | Name: | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN | | Formula: | C24 H28 N4 O | | SMILES: | o1c(ccc1c2ccc(cc2)C(N)NC3CC3)c4ccc(cc4)C(N)NC5CC5 | | InChi: | InChI=1S/C24H28N4O/c25-23(27-19-9-10-19)17-5-1-15(2-6-17)21-13-14-22(29-21)16-3-7-18(8-4-16)24(26)28-20-11-12-20/h1-8,13-14,19-20,23-24,27-28H,9-12,25-26H2/t23-,24+ | | Synonyms: | FURAMIDINE DERIVATIVE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclopropylmethanediamine) |
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 | | D1V | | Name: | 2-mercapto(3H)quinazolinone | | Formula: | C8 H6 N2 O S | | SMILES: | O=C1c2c(N=C(S)N1)cccc2 | | InChi: | InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) | | Synonyms: | 2-sulfanylquinazolin-4(3H)-one | | Definition date: | 2008-05-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-sulfanylquinazolin-4(3H)-one |
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 | | D23 | | Name: | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE | | Formula: | C19 H19 F3 N4 | | SMILES: | FC(F)(F)c3nc1c(cc(cc1)c2cccc(N)c2)c(n3)NC(C)(C)C | | InChi: | InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26) | | Synonyms: | DIN-234325 | | Definition date: | 2005-09-28 | | Last modified: | 2021-03-01 | | Identifier: | 6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine |
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 | | D42 | | Name: | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | | Formula: | C21 H23 N7 O2 S | | SMILES: | O=C(NN1CCN(C)CC1)Nc2cccc3c2C(=O)c4c(nnc34)c5sc(nc5C)C | | InChi: | InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30) | | Synonyms: | DPH-042562 | | Definition date: | 2005-09-28 | | Last modified: | 2021-03-01 | | Identifier: | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl]-3-(4-methylpiperazin-1-yl)urea |
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 | | D4F | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate | | Formula: | C21 H20 N7 O9 P S2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CSC(=N4)c5sc6cc(O)ccc6n5)[CH](O)[CH]3O | | InChi: | InChI=1S/C21H20N7O9PS2/c22-16-13-17(24-6-23-16)28(7-25-13)20-15(31)14(30)11(36-20)4-35-38(33,34)37-21(32)10-5-39-18(27-10)19-26-9-2-1-8(29)3-12(9)40-19/h1-3,6-7,10-11,14-15,20,29-31H,4-5H2,(H,33,34)(H2,22,23,24)/t10-,11-,14-,15-,20-/m1/s1 | | Synonyms: | Luciferyl adenylate | | Definition date: | 2019-06-25 | | Last modified: | 2021-03-01 | | Release date: | 2020-05-27 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4~{S})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate |
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