 | | DH7 | | Name: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene | | Formula: | C30 H46 | | SMILES: | C(=C(C)CCC=C(/C)CCC=C(/C)C)=CC=C=C(/C)CC/C=C(C)CCC=C(/C)C | | InChi: | InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+ | | Synonyms: | dehydrosqualene | | Definition date: | 2010-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene |
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 | | 4FE | | Name: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid | | Formula: | C10 H10 O4 | | SMILES: | O=C(O)C=Cc1ccc(OC)c(O)c1 | | InChi: | InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | | Synonyms: | 3-(3-HYDROXY-4-METHOXYPHENYL)-2-PROPENOIC ACID | | Definition date: | 2008-02-25 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
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 | | DIR | | Name: | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE | | Formula: | C4 H10 N4 O3 | | SMILES: | O=C(O)C(N)CNC(=NO)N | | InChi: | InChI=1S/C4H10N4O3/c5-2(3(9)10)1-7-4(6)8-11/h2,11H,1,5H2,(H,9,10)(H3,6,7,8)/t2-/m0/s1 | | Synonyms: | DINOR-N(OMEGA)-HYDROXY-L-ARGININE | | Definition date: | 2004-05-20 | | Last modified: | 2021-03-01 | | Identifier: | 3-(N''-hydroxycarbamimidamido)-L-alanine |
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 | | DIZ | | Name: | (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID | | Formula: | C23 H15 Cl2 I N2 O4 | | SMILES: | Clc1ccc(cc1)C(C(=O)O)N3C(=O)c4cc(I)ccc4NC(=O)C3c2ccc(Cl)cc2 | | InChi: | InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1 | | Synonyms: | DI-CHLORO-BENZO-DIAZEPINE | | Definition date: | 2004-05-10 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-(4-chlorophenyl)[(3S)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]ethanoic acid |
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 | | 4FZ | | Name: | 4-formylbenzenecarboximidamide | | Formula: | C8 H8 N2 O | | SMILES: | NC(=N)c1ccc(C=O)cc1 | | InChi: | InChI=1S/C8H8N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-5H,(H3,9,10) | | Synonyms: | 4-formylbenzimidamide | | Definition date: | 2009-11-19 | | Last modified: | 2021-03-01 | | Identifier: | 4-methanoylbenzenecarboximidamide |
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 | | DJO | | Name: | (phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate | | Formula: | C17 H17 N O3 | | SMILES: | OC[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3 | | InChi: | InChI=1S/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2/t15-/m0/s1 | | Synonyms: | Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-25 | | Identifier: | (phenylmethyl) (2~{S})-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate |
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 | | DJU | | Name: | N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine | | Formula: | C18 H20 N2 O | | SMILES: | CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 | | InChi: | InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3 | | Synonyms: | 5-Benzyloxygramine | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-25 | | Identifier: | ~{N},~{N}-dimethyl-1-(5-phenylmethoxy-1~{H}-indol-3-yl)methanamine |
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 | | DJX | | Name: | N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine | | Formula: | C19 H23 N7 S | | SMILES: | CCN1CCN(CC1)c2cc(Nc3sc(cn3)c4ccncc4)nc(C)n2 | | InChi: | InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24) | | Synonyms: | 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(5-(pyridin-4-yl)thiazol-2-yl)pyrimidin-4-amine | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2019-11-27 | | Identifier: | ~{N}-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine |
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 | | DKW | | Name: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide | | Formula: | C13 H14 N6 O4 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC#C | | InChi: | InChI=1S/C13H14N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h1,4-5,7-9,13,20-21H,3H2,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1 | | Synonyms: | 6-CARBOXYMETHYLURACIL | | Definition date: | 2018-01-23 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-06 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide |
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 | | 4HX | | Name: | (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE | | Formula: | C11 H22 N8 O5 | | SMILES: | O=C(N)C1NCC(N(O)C(=O)C(N)CCCNC(=[N@H])N[N+]([O-])=O)C1 | | InChi: | InChI=1S/C11H22N8O5/c12-7(2-1-3-15-11(14)17-19(23)24)10(21)18(22)6-4-8(9(13)20)16-5-6/h6-8,16,22H,1-5,12H2,(H2,13,20)(H3,14,15,17)/t6-,7+,8+/m1/s1 | | Synonyms: | 4-N-(NW-NITRO-L-ARGININYL)-TRANS-4-HYDROXYAMINO-L-PROLINE AMIDE | | Definition date: | 2006-08-07 | | Last modified: | 2021-03-01 | | Identifier: | (4R)-4-{hydroxy[N~5~-(N-nitrocarbamimidoyl)-L-ornithyl]amino}-L-prolinamide |
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 | | ETS | | Name: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE | | Formula: | C10 H16 N2 O4 S3 | | SMILES: | O=S(=O)(c1sc2c(c1)C(NCC)CC(S2(=O)=O)C)N | | InChi: | InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | | Synonyms: | Dorzolamide | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide |
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 | | 4JG | | Name: | 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone | | Formula: | C16 H14 N2 O S | | SMILES: | O=C(c1sc(nc1C)Nc2ccc3c(c2)cccc3)C | | InChi: | InChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18) | | Synonyms: | 1-(4-methyl-2-(naphthalen-2-ylamino)thiazol-5-yl)ethanone | | Definition date: | 2013-03-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-03-05 | | Identifier: | 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone |
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 | | EW4 | | Name: | [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | | Formula: | C29 H39 N7 O | | SMILES: | c1(ccn(c1)CC3CCN(C2CCCCC=C2)CC3)C(=O)N6CC(n4cnc5c4cc(C)nc5N)(C6)C | | InChi: | InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1 | | Synonyms: | MTF9975 | | Definition date: | 2018-02-05 | | Last modified: | 2021-03-01 | | Release date: | 2018-03-14 | | Identifier: | [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone |
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 | | EWH | | Name: | ~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide | | Formula: | C24 H26 Cl N7 O | | SMILES: | CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NC(=O)C=C)n3)cc2 | | InChi: | InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30) | | Synonyms: | SM1-71 | | Definition date: | 2018-04-27 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-27 | | Identifier: | ~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide |
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 | | 4M0 | | Name: | 2-azanyl-4-methyl-benzoic acid | | Formula: | C8 H9 N O2 | | SMILES: | O=C(O)c1ccc(cc1N)C | | InChi: | InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11) | | Synonyms: | 4-methylanthranilate | | Definition date: | 2014-02-06 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-23 | | Identifier: | 2-amino-4-methylbenzoic acid |
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 | | 4M2 | | Name: | 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine | | Formula: | C37 H50 N6 O14 | | SMILES: | c12ncnc(c1ncn2C6C(C(NC(C(=[C@H]c5ccc(OC4OC(=C(/COC3C(C(OC)C(C(O3)C)OC)O)OC)/C(O)C4O)cc5)C)=O)C(O6)CO)O)N(C)C | | InChi: | InChI=1S/C37H50N6O14/c1-17(34(49)41-23-21(13-44)56-35(25(23)45)43-16-40-24-32(42(3)4)38-15-39-33(24)43)12-19-8-10-20(11-9-19)55-37-27(47)26(46)30(57-37)22(50-5)14-53-36-28(48)31(52-7)29(51-6)18(2)54-36/h8-12,15-16,18,21,23,25-29,31,35-37,44-48H,13-14H2,1-7H3,(H,41,49)/b17-12+,30-22-/t18-,21-,23-,25-,26+,27+,28+,29-,31-,35-,36+,37+/m1/s1 | | Synonyms: | A201A | | Definition date: | 2015-04-14 | | Last modified: | 2021-03-01 | | Release date: | 2015-06-03 | | Identifier: | 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine |
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 | | 4MU | | Name: | 7-hydroxy-4-methyl-2H-chromen-2-one | | Formula: | C10 H8 O3 | | SMILES: | O=C2Oc1cc(O)ccc1C(=C2)C | | InChi: | InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 | | Synonyms: | 4-methylumbelliferone | | Definition date: | 2008-11-06 | | Last modified: | 2021-03-01 | | Identifier: | 7-hydroxy-4-methyl-2H-chromen-2-one |
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 | | 4MW | | Name: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide | | Formula: | C38 H37 Cl N8 O7 S | | SMILES: | O=C(NCCCCNC(COc1cccc3c1C(N(C2C(NC(CC2)=O)=O)C3=O)=O)=O)CC4N=C(c6c(n5c4nnc5C)sc(c6C)C)c7ccc(cc7)Cl | | InChi: | InChI=1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12,25-26H,4-5,13-18H2,1-3H3,(H,40,49)(H,41,50)(H,43,48,51)/t25-,26-/m0/s1 | | Synonyms: | DB-2-190 | | Definition date: | 2015-04-16 | | Last modified: | 2021-03-01 | | Release date: | 2015-11-18 | | Identifier: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide |
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 | | 4NS | | Name: | 4-nitrophenyl sulfate | | Formula: | C6 H5 N O6 S | | SMILES: | O=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)O | | InChi: | InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12) | | Synonyms: | 4-nitrophenyl hydrogen sulfate | | Definition date: | 2009-02-03 | | Last modified: | 2021-03-01 | | Identifier: | 4-nitrophenyl hydrogen sulfate |
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 | | 4O1 | | Name: | N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | | Formula: | C25 H32 Cl N5 O5 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N(CC(=O)N)C3C(=O)N(CC3)C(C(=O)N4CCCN(C)CC4)C | | InChi: | InChI=1S/C25H32ClN5O5S/c1-17(24(33)29-10-3-9-28(2)12-13-29)30-11-8-22(25(30)34)31(16-23(27)32)37(35,36)21-7-5-18-14-20(26)6-4-19(18)15-21/h4-7,14-15,17,22H,3,8-13,16H2,1-2H3,(H2,27,32)/t17-,22-/m0/s1 | | Synonyms: | GTC000401 | | Definition date: | 2015-02-13 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-30 | | Identifier: | N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide |
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 | | 4OA | | Name: | (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid | | Formula: | C24 H40 O3 | | SMILES: | O=C(O)CCC(C4C3(C(C2C(C1(CCC(O)CC1CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 | | Synonyms: | Lithocholic acid | | Definition date: | 2008-12-01 | | Last modified: | 2021-03-01 | | Identifier: | (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid |
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 | | F0E | | Name: | cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate | | Formula: | C46 H55 N11 O5 | | SMILES: | O=C(NCCCNC(=O)c1cc(ccn1)c2n[nH]c3ccc(NC(=O)[CH]4CCN(C4)CC(=O)N5CCN(CC5)c6ccc(cc6)c7ncccn7)cc23)OC8CCCCCCC8 | | InChi: | InChI=1S/C46H55N11O5/c58-41(57-26-24-56(25-27-57)36-13-10-32(11-14-36)43-48-18-6-19-49-43)31-55-23-17-34(30-55)44(59)52-35-12-15-39-38(29-35)42(54-53-39)33-16-22-47-40(28-33)45(60)50-20-7-21-51-46(61)62-37-8-4-2-1-3-5-9-37/h6,10-16,18-19,22,28-29,34,37H,1-5,7-9,17,20-21,23-27,30-31H2,(H,50,60)(H,51,61)(H,52,59)(H,53,54)/t34-/m1/s1 | | Synonyms: | HYDROXYETHYLAMINE BACE INHIBITOR | | Definition date: | 2018-05-16 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-02 | | Identifier: | cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate |
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 | | 4PI | | Name: | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | | Formula: | C20 H23 N O | | SMILES: | O=C(c1ccc(cc1)C)N3CCC(Cc2ccccc2)CC3 | | InChi: | InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3 | | Synonyms: | (4-BENZYLPIPERIDIN-1-YL)(P-TOLYL)METHANONE | | Definition date: | 2006-11-07 | | Last modified: | 2021-03-01 | | Identifier: | 4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine |
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 | | F17 | | Name: | N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE | | Formula: | C32 H29 N5 O9 S2 | | SMILES: | O=C5C=C(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)N)Cc3ccc(C2=CC(=O)NS2(=O)=O)cc3)Cc4ccccc4)S(=O)(=O)N5 | | InChi: | InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1 | | Synonyms: | ISOTHIAZOLIDANONE ANALOGUE | | Definition date: | 2006-05-04 | | Last modified: | 2021-03-01 | | Identifier: | N-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-L-phenylalaninamide |
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 | | F18 | | Name: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL | | Formula: | C9 H10 N6 O | | SMILES: | N(=Nc1c(nnc1N)N)c2ccc(O)cc2 | | InChi: | InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12- | | Synonyms: | CAN508 | | Definition date: | 2006-05-02 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol |
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