 | | S5W | | Name: | Macrocyclic SAFit analogue 55 | | Formula: | C41 H51 N O9 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OCCOc6cccc2c6)c(OC)c5)cc1OC | | InChi: | InChI=1S/C41H51NO9/c1-45-34-19-17-27(23-35(34)46-2)16-18-33-29-13-10-14-31(24-29)49-21-22-50-39-36(47-3)25-30(26-37(39)48-4)38(28-11-6-5-7-12-28)40(43)42-20-9-8-15-32(42)41(44)51-33/h10,13-14,17,19,23-26,28,32-33,38H,5-9,11-12,15-16,18,20-22H2,1-4H3/t32-,33+,38-/m0/s1 | | Definition date: | 2020-11-10 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 |
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 | | SZD | | Name: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide | | Formula: | C20 H13 F5 N2 O4 S | | SMILES: | Fc1cc(F)cc(c1)C(=O)Nc2cccc(c2)[S](=O)(=O)Nc3ccc(OC(F)(F)F)cc3 | | InChi: | InChI=1S/C20H13F5N2O4S/c21-13-8-12(9-14(22)10-13)19(28)26-16-2-1-3-18(11-16)32(29,30)27-15-4-6-17(7-5-15)31-20(23,24)25/h1-11,27H,(H,26,28) | | Definition date: | 2020-03-13 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide |
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 | | U7H | | Name: | 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1H-pyrazol-1-yl)propan-1-one | | Formula: | C27 H29 N5 O2 | | SMILES: | Cc1nn(C[C](C)(O)C(=O)N2CCN(CC2)c3cccc4cnccc34)cc1c5ccccc5 | | InChi: | InChI=1S/C27H29N5O2/c1-20-24(21-7-4-3-5-8-21)18-32(29-20)19-27(2,34)26(33)31-15-13-30(14-16-31)25-10-6-9-22-17-28-12-11-23(22)25/h3-12,17-18,34H,13-16,19H2,1-2H3/t27-/m0/s1 | | Synonyms: | (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-pyrazol-1-yl)-2-oxidanyl-propan-1-one | | Definition date: | 2021-01-28 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-pyrazol-1-yl)-2-oxidanyl-propan-1-one |
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 | | U7K | | Name: | (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one | | Formula: | C27 H29 N5 O2 S | | SMILES: | C[C](O)(CN=C1Sc2cccc3CCCN1c23)C(=O)N4CCN(CC4)c5cccc6cnccc56 | | InChi: | InChI=1S/C27H29N5O2S/c1-27(34,18-29-26-32-12-4-7-19-5-3-9-23(35-26)24(19)32)25(33)31-15-13-30(14-16-31)22-8-2-6-20-17-28-11-10-21(20)22/h2-3,5-6,8-11,17,34H,4,7,12-16,18H2,1H3/b29-26+/t27-/m0/s1 | | Synonyms: | (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-2-oxidanyl-3-[(~{E})-3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-ylideneamino]propan-1-one | | Definition date: | 2021-01-28 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-2-oxidanyl-3-[(~{E})-3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-ylideneamino]propan-1-one |
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 | | SZV | | Name: | 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid | | Formula: | C20 H14 N4 O5 | | SMILES: | c2(c(n1c(cncc1)n2)Nc3ccc(c(C(O)=O)c3)C(O)=O)c4c(cccc4)O | | InChi: | InChI=1S/C20H14N4O5/c25-15-4-2-1-3-13(15)17-18(24-8-7-21-10-16(24)23-17)22-11-5-6-12(19(26)27)14(9-11)20(28)29/h1-10,22,25H,(H,26,27)(H,28,29) | | Definition date: | 2020-03-16 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid |
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 | | Q7G | | Name: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside | | Formula: | C56 H92 O25 | | SMILES: | C6=1C(C5C(CC=1)C4CC3C(C(C2(CCC(CO2)C)O3)C)C4(C)CC5)(CCC(C6)OCCC(COC7C(O)C(O)C(C(O7)CO)OC8C(C(O)C(C(O8)CO)O)O)COC9OC(C(C(C9O)O)OC%10C(C(C(O)C(CO)O%10)O)O)CO)C | | InChi: | InChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56-/m1/s1 | | Definition date: | 2019-09-30 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside |
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 | | U9Y | | Name: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine | | Formula: | C17 H18 Cl2 N6 | | SMILES: | c12nnc(c1ncc(n2)N3CCC(CC3)(C)N)c4cccc(c4Cl)Cl | | InChi: | InChI=1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24) | | Definition date: | 2020-05-05 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine |
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 | | QO7 | | Name: | 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide | | Formula: | C17 H15 Br F2 N4 O3 | | SMILES: | c1(ccc(cc1F)Br)Nc2c(C(NOCCO)=O)cc3c(c2F)ncn3C | | InChi: | InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) | | Definition date: | 2019-12-02 | | Last modified: | 2021-03-12 | | Release date: | 2020-12-02 | | Identifier: | 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide |
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 | | QOA | | Name: | N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide | | Formula: | C15 H15 F I N3 O3 | | SMILES: | c2(Nc1ccc(cc1F)I)c(C(=O)NCC(O)CO)ccnc2 | | InChi: | InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1 | | Definition date: | 2019-12-02 | | Last modified: | 2021-03-12 | | Release date: | 2020-12-02 | | Identifier: | N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide |
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 | | V2J | | Name: | 5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine | | Formula: | C15 H21 N6 O8 P | | SMILES: | c21n(cnc1c(ncn2)N)C4C(C(C(COP(=O)(O)N3CC(CC3)C(=O)O)O4)O)O | | InChi: | InChI=1S/C15H21N6O8P/c16-12-9-13(18-5-17-12)21(6-19-9)14-11(23)10(22)8(29-14)4-28-30(26,27)20-2-1-7(3-20)15(24)25/h5-8,10-11,14,22-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,10+,11+,14+/m0/s1 | | Definition date: | 2020-06-19 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine |
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 | | V2P | | Name: | (2~{S})-1-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid | | Formula: | C15 H21 N6 O8 P | | SMILES: | C(C4N(P(O)(OCC3C(O)C(O)C(n1c2c(nc1)c(N)ncn2)O3)=O)CCC4)(O)=O | | InChi: | InChI=1S/C15H21N6O8P/c16-12-9-13(18-5-17-12)20(6-19-9)14-11(23)10(22)8(29-14)4-28-30(26,27)21-3-1-2-7(21)15(24)25/h5-8,10-11,14,22-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,10+,11+,14+/m0/s1 | | Definition date: | 2020-06-19 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | (2S)-1-[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]pyrrolidine-2-carboxylic acid (non-preferred name) |
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 | | V2S | | Name: | (2~{S})-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid | | Formula: | C19 H23 N6 O8 P | | SMILES: | C(C(NP(=O)(O)OCC3OC(n2c1c(c(N)ncn1)nc2)C(O)C3O)Cc4ccccc4)(O)=O | | InChi: | InChI=1S/C19H23N6O8P/c20-16-13-17(22-8-21-16)25(9-23-13)18-15(27)14(26)12(33-18)7-32-34(30,31)24-11(19(28)29)6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,26-27H,6-7H2,(H,28,29)(H2,20,21,22)(H2,24,30,31)/t11-,12+,14+,15+,18+/m0/s1 | | Definition date: | 2020-06-19 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}-3-phenylpropanoic acid (non-preferred name) |
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 | | WCY | | Name: | N-{4-[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide | | Formula: | C21 H16 F6 N4 O S2 | | SMILES: | c3nc(C(Nc2ccc(NC(=S)NC(C)c1cc(cc(C(F)(F)F)c1)C(F)(F)F)cc2)=O)cs3 | | InChi: | InChI=1S/C21H16F6N4OS2/c1-11(12-6-13(20(22,23)24)8-14(7-12)21(25,26)27)29-19(33)31-16-4-2-15(3-5-16)30-18(32)17-9-34-10-28-17/h2-11H,1H3,(H,30,32)(H2,29,31,33)/t11-/m0/s1 | | Definition date: | 2020-10-14 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | N-{4-[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide |
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 | | VY7 | | Name: | 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid | | Formula: | C20 H24 N6 O4 | | SMILES: | C(Oc1c(cccc1)N2CCC(CC2)C(=O)O)C(N3Cc4c(C3)nc(N)nc4N)=O | | InChi: | InChI=1S/C20H24N6O4/c21-18-13-9-26(10-14(13)23-20(22)24-18)17(27)11-30-16-4-2-1-3-15(16)25-7-5-12(6-8-25)19(28)29/h1-4,12H,5-11H2,(H,28,29)(H4,21,22,23,24) | | Definition date: | 2020-09-21 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid |
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 | | VYG | | Name: | 6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine | | Formula: | C20 H27 F3 N6 O2 | | SMILES: | C(C)c1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(C(F)(F)F)CC3 | | InChi: | InChI=1S/C20H27F3N6O2/c1-2-14-16(17(24)28-19(25)27-14)30-11-4-12-31-18-15(5-3-8-26-18)29-9-6-13(7-10-29)20(21,22)23/h3,5,8,13H,2,4,6-7,9-12H2,1H3,(H4,24,25,27,28) | | Definition date: | 2020-09-21 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine |
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 | | TK7 | | Name: | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | Formula: | C34 H52 N3 O11 P S | | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(=O)OC2COC3C2CCO3)(CN(CC(CC)CC)S(c4ccc(cc4)N)(=O)=O)O | | InChi: | InChI=1S/C34H52N3O11PS/c1-5-24(6-2)20-37(50(41,42)28-15-11-26(35)12-16-28)21-31(38)30(36-34(39)48-32-22-44-33-29(32)17-18-43-33)19-25-9-13-27(14-10-25)45-23-49(40,46-7-3)47-8-4/h9-16,24,29-33,38H,5-8,17-23,35H2,1-4H3,(H,36,39)/t29-,30-,31+,32-,33+/m0/s1 | | Definition date: | 2020-03-23 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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 | | T58 | | Name: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione | | Formula: | C43 H53 N O9 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OC)c(OCC=CCOc6cccc2c6)c5)cc1OC | | InChi: | InChI=1S/C43H53NO9/c1-47-36-21-19-29(25-37(36)48-2)18-20-35-31-15-12-16-33(26-31)51-23-10-11-24-52-39-28-32(27-38(49-3)41(39)50-4)40(30-13-6-5-7-14-30)42(45)44-22-9-8-17-34(44)43(46)53-35/h10-12,15-16,19,21,25-28,30,34-35,40H,5-9,13-14,17-18,20,22-24H2,1-4H3/b11-10+/t34-,35+,40-/m0/s1 | | Definition date: | 2020-12-15 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 |
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 | | T5B | | Name: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione | | Formula: | C43 H55 N O11 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OC)c(OC[CH](O)[CH](O)COc6cccc2c6)c5)cc1OC | | InChi: | InChI=1S/C43H55NO11/c1-49-36-19-17-27(21-37(36)50-2)16-18-35-29-13-10-14-31(22-29)53-25-33(45)34(46)26-54-39-24-30(23-38(51-3)41(39)52-4)40(28-11-6-5-7-12-28)42(47)44-20-9-8-15-32(44)43(48)55-35/h10,13-14,17,19,21-24,28,32-35,40,45-46H,5-9,11-12,15-16,18,20,25-26H2,1-4H3/t32-,33+,34+,35+,40-/m0/s1 | | Definition date: | 2020-12-15 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 |
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 | | WEV | | Name: | (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose | | Formula: | C35 H58 O9 | | SMILES: | COC1C=CC=C(CC(C)C(C(C=C(C=C(C(OC1C(C)C(O)C(C)C2(CC(O)C(C(O2)C(C)C)C)O)=O)OC)C)C)O)C | | InChi: | InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23-,24+,25+,26+,27-,28+,30+,31-,32-,33-,35-/m1/s1 | | Definition date: | 2020-10-22 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose |
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 | | T5H | | Name: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione | | Formula: | C43 H55 N O11 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OC[CH](O)[CH](O)COc6cccc2c6)c(OC)c5)cc1OC | | InChi: | InChI=1S/C43H55NO11/c1-49-36-19-17-27(21-37(36)50-2)16-18-35-29-13-10-14-31(22-29)53-25-33(45)34(46)26-54-41-38(51-3)23-30(24-39(41)52-4)40(28-11-6-5-7-12-28)42(47)44-20-9-8-15-32(44)43(48)55-35/h10,13-14,17,19,21-24,28,32-35,40,45-46H,5-9,11-12,15-16,18,20,25-26H2,1-4H3/t32-,33+,34-,35+,40-/m0/s1 | | Definition date: | 2020-12-15 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 |
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 | | VLV | | Name: | N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide | | Formula: | C20 H26 N4 O3 S | | SMILES: | C(=O)(CCNC(Nc2nc(C)c(c1ccc(cc1)C(C)=O)s2)=O)NC(C)(C)C | | InChi: | InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27) | | Definition date: | 2020-08-27 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide |
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 | | U0Z | | Name: | 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline | | Formula: | C10 H10 N2 S | | SMILES: | N=C1Sc2cccc3CCCN1c23 | | InChi: | InChI=1S/C10H10N2S/c11-10-12-6-2-4-7-3-1-5-8(13-10)9(7)12/h1,3,5,11H,2,4,6H2/b11-10+ | | Synonyms: | 3-Thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-imine | | Definition date: | 2021-01-17 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-imine |
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 | | QET | | Name: | [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | | Formula: | C24 H23 F6 N O6 S | | SMILES: | C[S](=O)(=O)c1ccc(OCC(F)(F)C(F)(F)F)c(c1)C(=O)N2Cc3cc(F)c(OC4CCOCC4)cc3C2 | | InChi: | InChI=1S/C24H23F6NO6S/c1-38(33,34)17-2-3-20(36-13-23(26,27)24(28,29)30)18(10-17)22(32)31-11-14-8-19(25)21(9-15(14)12-31)37-16-4-6-35-7-5-16/h2-3,8-10,16H,4-7,11-13H2,1H3 | | Definition date: | 2020-06-10 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone |
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 | | U1W | | Name: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine | | Formula: | C12 H15 N3 | | SMILES: | CCN1C(=N)N2CCCc3cccc1c23 | | InChi: | InChI=1S/C12H15N3/c1-2-14-10-7-3-5-9-6-4-8-15(11(9)10)12(14)13/h3,5,7,13H,2,4,6,8H2,1H3/b13-12+ | | Definition date: | 2021-01-18 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine |
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 | | Q1W | | Name: | 2,2-dimethyl-4-oxidanylidene-pentanedioic acid | | Formula: | C7 H10 O5 | | SMILES: | CC(C)(CC(=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C7H10O5/c1-7(2,6(11)12)3-4(8)5(9)10/h3H2,1-2H3,(H,9,10)(H,11,12) | | Definition date: | 2020-05-06 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 2,2-dimethyl-4-oxidanylidene-pentanedioic acid |
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