 | | AUO | | Name: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid | | Formula: | C38 H60 O18 | | SMILES: | OCC1C(O)C(O)C(C(O1)OC2C(C(CO)OC(C2OC3OC(CO)C(C(C3O)O)O)OC76C(=C)/CC5(CCC4C(C(O)=O)(CCCC4(C5CC6)C)C)C7)O)O | | InChi: | InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 | | Definition date: | 2018-11-28 | | Last modified: | 2019-07-26 | | Release date: | 2019-07-31 | | Identifier: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid |
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 | | H9Y | | Name: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile | | Formula: | C21 H14 F2 N4 O4 | | SMILES: | N#Cc2cc1c(cc(cn1c2)F)Oc3ccc(cc3OCCN4C(NC(=O)C=C4)=O)F | | InChi: | InChI=1S/C21H14F2N4O4/c22-14-1-2-17(19(8-14)30-6-5-26-4-3-20(28)25-21(26)29)31-18-9-15(23)12-27-11-13(10-24)7-16(18)27/h1-4,7-9,11-12H,5-6H2,(H,25,28,29) | | Definition date: | 2018-06-20 | | Last modified: | 2019-07-26 | | Release date: | 2019-07-31 | | Identifier: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile |
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 | | JJN | | Name: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one | | Formula: | C22 H25 N3 O | | SMILES: | CN1CCC(C)(CC1)[C]23NC(=O)c4ccccc4[CH]2c5ccccc5N3 | | InChi: | InChI=1S/C22H25N3O/c1-21(11-13-25(2)14-12-21)22-19(17-9-5-6-10-18(17)23-22)15-7-3-4-8-16(15)20(26)24-22/h3-10,19,23H,11-14H2,1-2H3,(H,24,26)/t19-,22+/m0/s1 | | Definition date: | 2019-02-28 | | Last modified: | 2019-07-26 | | Release date: | 2019-07-31 | | Identifier: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one |
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 | | JJQ | | Name: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole | | Formula: | C14 H20 N2 | | SMILES: | CC1(C)C[C]2(C)c3ccccc3N[C]2(C)N1 | | InChi: | InChI=1S/C14H20N2/c1-12(2)9-13(3)10-7-5-6-8-11(10)15-14(13,4)16-12/h5-8,15-16H,9H2,1-4H3/t13-,14-/m0/s1 | | Definition date: | 2019-02-28 | | Last modified: | 2019-07-26 | | Release date: | 2019-07-31 | | Identifier: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole |
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 | | KVS | | Name: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide | | Formula: | C36 H68 N10 O10 | | SMILES: | C(=O)(C)NC(C(NC(C(=O)NC(C(O)(CC(C(NC(C(NC(C(N)=O)CCCN/C(N)=N)=O)CCC(N)=O)=O)CCCC)O)CCCC)C(C)CC)=O)C(C)O | | InChi: | InChI=1S/C36H68N10O10/c1-7-10-13-23(31(51)44-25(16-17-27(37)49)32(52)43-24(30(38)50)14-12-18-41-35(39)40)19-36(55,56)26(15-11-8-2)45-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48/h20-21,23-26,28-29,47,55-56H,7-19H2,1-6H3,(H2,37,49)(H2,38,50)(H,42,48)(H,43,52)(H,44,51)(H,45,53)(H,46,54)(H4,39,40,41)/t20-,21+,23+,24-,25-,26-,28-,29-/m0/s1 | | Definition date: | 2011-01-13 | | Last modified: | 2019-07-25 | | Identifier: | (2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4,4-dihydroxynonanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide (non-preferred name) |
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 | | 64P | | Name: | 5-aminothymidine 5'-(dihydrogen phosphate) | | Formula: | C10 H18 N3 O8 P | | SMILES: | O=C1N(CC(C(=O)N1)(N)C)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H18N3O8P/c1-10(11)4-13(9(16)12-8(10)15)7-2-5(14)6(21-7)3-20-22(17,18)19/h5-7,14H,2-4,11H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1 | | Definition date: | 2009-03-04 | | Last modified: | 2019-07-24 | | Identifier: | 5-aminothymidine 5'-(dihydrogen phosphate) |
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 | | L8Y | | Name: | 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide | | Formula: | C19 H17 F N6 O2 | | SMILES: | c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)C(=O)N)C(NC)=O)F | | InChi: | InChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26) | | Definition date: | 2019-02-14 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide |
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 | | L91 | | Name: | 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide | | Formula: | C19 H18 F N5 O3 S | | SMILES: | c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)S(C)(=O)=O)C(NC)=O)F | | InChi: | InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25) | | Definition date: | 2019-02-14 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide |
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 | | L9A | | Name: | 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide | | Formula: | C18 H20 N4 O4 S | | SMILES: | c3(c(Nc2c(cnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3)S(C)(=O)=O | | InChi: | InChI=1S/C18H20N4O4S/c1-19-18(24)12-10-20-16(22-17(23)11-7-8-11)9-14(12)21-13-5-3-4-6-15(13)27(2,25)26/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H2,20,21,22,23) | | Definition date: | 2019-02-14 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide |
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 | | XX0 | | Name: | 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide | | Formula: | C12 H14 Cl2 N2 O4 S | | SMILES: | C(C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2)Cl | | InChi: | InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17) | | Definition date: | 2019-07-03 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide |
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 | | JX2 | | Name: | 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide | | Formula: | C30 H33 N3 O4 | | SMILES: | COc1ccc(cc1C#CC(=O)NCc2occc2)C3=NN(C4CCCCCC4)C(=O)[CH]5CC=CC[CH]35 | | InChi: | InChI=1S/C30H33N3O4/c1-36-27-16-14-22(19-21(27)15-17-28(34)31-20-24-11-8-18-37-24)29-25-12-6-7-13-26(25)30(35)33(32-29)23-9-4-2-3-5-10-23/h6-8,11,14,16,18-19,23,25-26H,2-5,9-10,12-13,20H2,1H3,(H,31,34)/t25-,26+/m0/s1 | | Definition date: | 2019-04-10 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide |
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 | | K1Q | | Name: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide | | Formula: | C29 H30 F N3 O3 | | SMILES: | COc1ccc(cc1C#CC(=O)NCCc2ccccc2F)C3=NN(C(C)C)C(=O)[CH]4CC=CC[CH]34 | | InChi: | InChI=1S/C29H30FN3O3/c1-19(2)33-29(35)24-10-6-5-9-23(24)28(32-33)22-12-14-26(36-3)21(18-22)13-15-27(34)31-17-16-20-8-4-7-11-25(20)30/h4-8,11-12,14,18-19,23-24H,9-10,16-17H2,1-3H3,(H,31,34)/t23-,24+/m0/s1 | | Definition date: | 2019-04-16 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide |
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 | | K3N | | Name: | 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide | | Formula: | C29 H39 N3 O3 | | SMILES: | CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C3CCCCCC3)C(=O)[CH]4CCCC[CH]24 | | InChi: | InChI=1S/C29H39N3O3/c1-3-4-19-30-27(33)18-16-21-20-22(15-17-26(21)35-2)28-24-13-9-10-14-25(24)29(34)32(31-28)23-11-7-5-6-8-12-23/h15,17,20,23-25H,3-14,19H2,1-2H3,(H,30,33)/t24-,25+/m0/s1 | | Definition date: | 2019-04-16 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide |
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 | | K3W | | Name: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide | | Formula: | C28 H29 N3 O4 | | SMILES: | COc1cccc(NC(=O)C#Cc2cc(ccc2OC)C3=NN(C(C)C)C(=O)[CH]4CC=CC[CH]34)c1 | | InChi: | InChI=1S/C28H29N3O4/c1-18(2)31-28(33)24-11-6-5-10-23(24)27(30-31)20-12-14-25(35-4)19(16-20)13-15-26(32)29-21-8-7-9-22(17-21)34-3/h5-9,12,14,16-18,23-24H,10-11H2,1-4H3,(H,29,32)/t23-,24+/m0/s1 | | Definition date: | 2019-04-17 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide |
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 | | KDW | | Name: | ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide | | Formula: | C54 H58 N8 O6 | | SMILES: | CC(=O)NCCNCc1cc(C)c(OCc2cccc(c2C)c3cccc(COc4cc(OCc5cncc(c5)C#N)c(CNCCNC(C)=O)cc4C)c3C)cc1OCc6cncc(c6)C#N | | InChi: | InChI=1S/C54H58N8O6/c1-35-17-47(29-57-13-15-61-39(5)63)53(65-31-43-19-41(23-55)25-59-27-43)21-51(35)67-33-45-9-7-11-49(37(45)3)50-12-8-10-46(38(50)4)34-68-52-22-54(66-32-44-20-42(24-56)26-60-28-44)48(18-36(52)2)30-58-14-16-62-40(6)64/h7-12,17-22,25-28,57-58H,13-16,29-34H2,1-6H3,(H,61,63)(H,62,64) | | Definition date: | 2019-05-14 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide |
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 | | KFJ | | Name: | 4-(4-nitrophenyl)-L-threonine | | Formula: | C10 H12 N2 O5 | | SMILES: | C(N)(C(O)=O)C(Cc1ccc(cc1)[N+]([O-])=O)O | | InChi: | InChI=1S/C10H12N2O5/c11-9(10(14)15)8(13)5-6-1-3-7(4-2-6)12(16)17/h1-4,8-9,13H,5,11H2,(H,14,15)/t8-,9+/m1/s1 | | Definition date: | 2018-11-30 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 4-(4-nitrophenyl)-L-threonine |
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 | | D0O | | Name: | (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid | | Formula: | C25 H42 O5 S | | SMILES: | C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](C)(=O)=O | | InChi: | InChI=1S/C25H42O5S/c1-16(5-10-23(26)27)20-8-9-21-19-7-6-17-15-18(30-31(4,28)29)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22H,5-15H2,1-4H3,(H,26,27)/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1 | | Definition date: | 2019-05-31 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
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 | | KSV | | Name: | (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate | | Formula: | C5 H13 O6 P | | SMILES: | C(C)OP(=O)(OCC(CO)O)O | | InChi: | InChI=1S/C5H13O6P/c1-2-10-12(8,9)11-4-5(7)3-6/h5-7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 | | Definition date: | 2019-01-11 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate |
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 | | N8G | | Name: | [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C8 H13 F N3 O12 P3 S | | SMILES: | NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2 | | InChi: | InChI=1S/C8H13FN3O12P3S/c9-4-1-12(8(13)11-7(4)10)5-3-28-6(22-5)2-21-26(17,18)24-27(19,20)23-25(14,15)16/h1,5-6H,2-3H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t5-,6+/m1/s1 | | Definition date: | 2019-05-07 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | ONV | | Name: | 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid | | Formula: | C22 H20 Cl N3 O7 | | SMILES: | C4(COc1c(Cl)cc3c(c1)nc(C(NC(c2ccc(C(=O)O)cc2)CO)=O)c3)CNC(O4)=O | | InChi: | InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1 | | Definition date: | 2019-07-01 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid |
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 | | OR7 | | Name: | 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide | | Formula: | C12 H16 Cl2 N2 O4 S | | SMILES: | C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)N(C)CCOC)=O)Cl | | InChi: | InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17) | | Definition date: | 2019-07-03 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide |
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 | | ORM | | Name: | 2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide | | Formula: | C11 H14 Cl2 N2 O3 S | | SMILES: | C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)NC(C)C)=O)Cl | | InChi: | InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16) | | Definition date: | 2019-07-03 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide |
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 | | 7H6 | | Name: | (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid | | Formula: | C15 H24 O3 | | SMILES: | C12(C(CCC1C(C)C)C(O)=O)CC(O)C(C)=CC2 | | InChi: | InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13-,15-/m0/s1 | | Definition date: | 2016-10-25 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid |
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 | | HVP | | Name: | 2-(fluorosulfonyl)benzene-1-sulfonic acid | | Formula: | C6 H5 F O5 S2 | | SMILES: | c1(S(F)(=O)=O)c(S(=O)(O)=O)cccc1 | | InChi: | InChI=1S/C6H5FO5S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,10,11,12) | | Definition date: | 2018-07-26 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 2-(fluorosulfonyl)benzene-1-sulfonic acid |
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 | | O97 | | Name: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide | | Formula: | C17 H14 N2 O2 S2 | | SMILES: | c1(sc(cc1)C(NC2CC2)=O)c4cccc3c4cc(C(N)=O)s3 | | InChi: | InChI=1S/C17H14N2O2S2/c18-16(20)15-8-11-10(2-1-3-12(11)23-15)13-6-7-14(22-13)17(21)19-9-4-5-9/h1-3,6-9H,4-5H2,(H2,18,20)(H,19,21) | | Definition date: | 2019-06-19 | | Last modified: | 2019-07-19 | | Release date: | 2019-07-24 | | Identifier: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide |
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