![H6U H6U](https://data.pdbj.org/pdbjplus/data/cc/svg/H6U.svg) | H6U | Name: | 2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide | Formula: | C21 H24 N4 O2 S | SMILES: | Nc1scc(CC(=O)Nc2ccc(CCNC[CH](O)c3ccccc3)cc2)n1 | InChi: | InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1 | Definition date: | 2020-11-20 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 2-(2-azanyl-1,3-thiazol-4-yl)-~{N}-[4-[2-[[(2~{R})-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide |
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![LMO LMO](https://data.pdbj.org/pdbjplus/data/cc/svg/LMO.svg) | LMO | Name: | dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside | Formula: | C24 H46 O11 | SMILES: | C(OC1C(C(C(C(CO)O1)O)O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O | InChi: | InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(30)20(29)18(27)16(35-23)14-33-24-22(31)19(28)17(26)15(13-25)34-24/h15-31H,2-14H2,1H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1 | Synonyms: | DDMB | Definition date: | 2020-12-21 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside |
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![VXJ VXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VXJ.svg) | VXJ | Name: | N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | Formula: | C19 H16 Cl F N4 O | SMILES: | c1c(c(cc(c1)NC(=O)N2Cc3c(CC2)nnc3c4ccccc4)Cl)F | InChi: | InChI=1S/C19H16ClFN4O/c20-15-10-13(6-7-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,24) | Definition date: | 2020-09-18 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
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![V4W V4W](https://data.pdbj.org/pdbjplus/data/cc/svg/V4W.svg) | V4W | Name: | 4-deoxy-L-erythro-hex-5-ulosuronic acid | Formula: | C6 H8 O6 | SMILES: | O[CH](CC(=O)C(O)=O)[CH](O)C=O | InChi: | InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1 | Synonyms: | (4S,5S)-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid | Definition date: | 2021-04-13 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (4~{S},5~{S})-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid |
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![QPB QPB](https://data.pdbj.org/pdbjplus/data/cc/svg/QPB.svg) | QPB | Name: | methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate | Formula: | C11 H12 O3 | SMILES: | COC(=O)C(C)=Cc1ccc(O)cc1 | InChi: | InChI=1S/C11H12O3/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-7,12H,1-2H3/b8-7- | Definition date: | 2020-07-16 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate |
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![ZHM ZHM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZHM.svg) | ZHM | Name: | 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine | Formula: | C19 H19 Br2 N5 O | SMILES: | Brc1cc(Oc2cccc(n2)c2c(C)nnn2C2CCNCC2)c(Br)cc1 | InChi: | InChI=1S/C19H19Br2N5O/c1-12-19(26(25-24-12)14-7-9-22-10-8-14)16-3-2-4-18(23-16)27-17-11-13(20)5-6-15(17)21/h2-6,11,14,22H,7-10H2,1H3 | Definition date: | 2021-04-29 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine |
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![QPE QPE](https://data.pdbj.org/pdbjplus/data/cc/svg/QPE.svg) | QPE | Name: | methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate | Formula: | C11 H12 O2 | SMILES: | COC(=O)C(C)=Cc1ccccc1 | InChi: | InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8- | Definition date: | 2020-07-16 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate |
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![ZHS ZHS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZHS.svg) | ZHS | Name: | 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine | Formula: | C25 H34 N6 O | SMILES: | Cc1cc(cc(C)c1)Oc1cccc(n1)c1c(C)nnn1C1CCN(CCN(C)C)CC1 | InChi: | InChI=1S/C25H34N6O/c1-18-15-19(2)17-22(16-18)32-24-8-6-7-23(26-24)25-20(3)27-28-31(25)21-9-11-30(12-10-21)14-13-29(4)5/h6-8,15-17,21H,9-14H2,1-5H3 | Definition date: | 2021-04-29 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine |
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![QPK QPK](https://data.pdbj.org/pdbjplus/data/cc/svg/QPK.svg) | QPK | Name: | 3-chloranyl-2,6-bis(fluoranyl)phenol | Formula: | C6 H3 Cl F2 O | SMILES: | Oc1c(F)ccc(Cl)c1F | InChi: | InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H | Definition date: | 2020-07-17 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 3-chloranyl-2,6-bis(fluoranyl)phenol |
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![ZHV ZHV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZHV.svg) | ZHV | Name: | 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine | Formula: | C23 H28 Br2 N6 O | SMILES: | Brc1cc(Oc2cccc(n2)c2c(C)nnn2C2CCN(CCN(C)C)CC2)c(Br)cc1 | InChi: | InChI=1S/C23H28Br2N6O/c1-16-23(31(28-27-16)18-9-11-30(12-10-18)14-13-29(2)3)20-5-4-6-22(26-20)32-21-15-17(24)7-8-19(21)25/h4-8,15,18H,9-14H2,1-3H3 | Definition date: | 2021-04-29 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine |
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![QPN QPN](https://data.pdbj.org/pdbjplus/data/cc/svg/QPN.svg) | QPN | Name: | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one | Formula: | C15 H16 F N3 O | SMILES: | CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3 | InChi: | InChI=1S/C15H16FN3O/c1-2-15(20)18-7-6-14-11(10-18)9-17-19(14)13-5-3-4-12(16)8-13/h3-5,8-9H,2,6-7,10H2,1H3 | Definition date: | 2020-07-17 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one |
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![YFP YFP](https://data.pdbj.org/pdbjplus/data/cc/svg/YFP.svg) | YFP | Name: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol | Formula: | C40 H77 O10 P | SMILES: | O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC | InChi: | InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/t37?,38-/m1/s1 | Definition date: | 2021-02-25 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (19R,22R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl octadec-9-enoate |
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![YFS YFS](https://data.pdbj.org/pdbjplus/data/cc/svg/YFS.svg) | YFS | Name: | N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide | Formula: | C16 H21 N3 O3 | SMILES: | c1(ccc(cc1OC)NC(C(N)CC(C)C)=O)c2ocnc2 | InChi: | InChI=1S/C16H21N3O3/c1-10(2)6-13(17)16(20)19-11-4-5-12(14(7-11)21-3)15-8-18-9-22-15/h4-5,7-10,13H,6,17H2,1-3H3,(H,19,20)/t13-/m1/s1 | Definition date: | 2021-02-26 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide |
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![YFV YFV](https://data.pdbj.org/pdbjplus/data/cc/svg/YFV.svg) | YFV | Name: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | Formula: | C23 H28 N8 S | SMILES: | c3(c1n(ccc1CN2CCC(CC2)N)ncn3)Nc4cccc(c4)c5sc(C(C)C)nn5 | InChi: | InChI=1S/C23H28N8S/c1-15(2)22-28-29-23(32-22)16-4-3-5-19(12-16)27-21-20-17(6-11-31(20)26-14-25-21)13-30-9-7-18(24)8-10-30/h3-6,11-12,14-15,18H,7-10,13,24H2,1-2H3,(H,25,26,27) | Definition date: | 2021-02-26 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine |
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![YFY YFY](https://data.pdbj.org/pdbjplus/data/cc/svg/YFY.svg) | YFY | Name: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide | Formula: | C19 H25 N3 O3 | SMILES: | COc2cc(ccc2c1cnco1)NC(=O)C3C(C(C)C)CCCN3 | InChi: | InChI=1S/C19H25N3O3/c1-12(2)14-5-4-8-21-18(14)19(23)22-13-6-7-15(16(9-13)24-3)17-10-20-11-25-17/h6-7,9-12,14,18,21H,4-5,8H2,1-3H3,(H,22,23)/t14-,18-/m1/s1 | Definition date: | 2021-02-26 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide |
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![USE USE](https://data.pdbj.org/pdbjplus/data/cc/svg/USE.svg) | USE | Name: | Orientin | Formula: | C21 H20 O11 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)c(O)c4 | InChi: | InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1 | Synonyms: | 2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one | Definition date: | 2021-03-12 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one |
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![V8A V8A](https://data.pdbj.org/pdbjplus/data/cc/svg/V8A.svg) | V8A | Name: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | Formula: | C42 H60 N8 O8 | SMILES: | C(CCN1CCOCC1)N2C(=O)c7c6c(C2=O)cc(NCCCN3CCOCC3)c5C(=O)N(CCCN4CCOCC4)C(c(c56)cc7NCCCN8CCOCC8)=O | InChi: | InChI=1S/C42H60N8O8/c51-39-31-29-33(43-5-1-7-45-13-21-55-22-14-45)37-35-32(40(52)49(41(37)53)11-3-9-47-17-25-57-26-18-47)30-34(44-6-2-8-46-15-23-56-24-16-46)38(36(31)35)42(54)50(39)12-4-10-48-19-27-58-28-20-48/h29-30,43-44H,1-28H2 | Definition date: | 2020-07-14 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone |
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![V8B V8B](https://data.pdbj.org/pdbjplus/data/cc/svg/V8B.svg) | V8B | Name: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one | Formula: | C17 H18 N2 O2 | SMILES: | Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O | InChi: | InChI=1S/C17H18N2O2/c1-11-4-9-15-16(20)18-14(10-19(11)15)12-5-7-13(8-6-12)17(2,3)21/h4-9,21H,10H2,1-3H3 | Definition date: | 2021-04-28 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one |
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![ZKM ZKM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZKM.svg) | ZKM | Name: | N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide | Formula: | C40 H77 N O11 S | SMILES: | CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)NC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37-,38+,39-,40+/m0/s1 | Definition date: | 2021-04-30 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}hexadecanamide |
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![UTG UTG](https://data.pdbj.org/pdbjplus/data/cc/svg/UTG.svg) | UTG | Name: | N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea | Formula: | C12 H11 Cl N2 O S | SMILES: | c1cccc(c1NC(NCc2ccco2)=S)Cl | InChi: | InChI=1S/C12H11ClN2OS/c13-10-5-1-2-6-11(10)15-12(17)14-8-9-4-3-7-16-9/h1-7H,8H2,(H2,14,15,17) | Definition date: | 2020-06-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea |
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![V9B V9B](https://data.pdbj.org/pdbjplus/data/cc/svg/V9B.svg) | V9B | Name: | N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide | Formula: | C9 H12 N2 O2 | SMILES: | CCC(=O)c1c[nH]c(c1)C(=O)NC | InChi: | InChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13) | Synonyms: | N-methyl-4-propionyl-1H-pyrrole-2-carboxamide | Definition date: | 2021-05-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}-methyl-4-propanoyl-1~{H}-pyrrole-2-carboxamide |
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![V9H V9H](https://data.pdbj.org/pdbjplus/data/cc/svg/V9H.svg) | V9H | Name: | 3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide | Formula: | C20 H26 N4 O3 | SMILES: | CNC(=O)c1cc(n(n1)[CH](C)c2ccccc2)C(=O)N[CH]3CC[CH](O)CC3 | InChi: | InChI=1S/C20H26N4O3/c1-13(14-6-4-3-5-7-14)24-18(12-17(23-24)19(26)21-2)20(27)22-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,25H,8-11H2,1-2H3,(H,21,26)(H,22,27)/t13-,15-,16-/m0/s1 | Synonyms: | N5-((1r,4S)-4-hydroxycyclohexyl)-N3-methyl-1-((S)-1-phenylethyl)-1H-pyrazole-3,5-dicarboxamide | Definition date: | 2021-05-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}3-methyl-~{N}5-(4-oxidanylcyclohexyl)-1-[(1~{S})-1-phenylethyl]pyrazole-3,5-dicarboxamide |
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![V9K V9K](https://data.pdbj.org/pdbjplus/data/cc/svg/V9K.svg) | V9K | Name: | 2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide | Formula: | C21 H26 N2 O4 | SMILES: | CNC(=O)c1oc([CH](C)c2ccccc2)c(c1)C(=O)N[CH]3CC[CH](O)CC3 | InChi: | InChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15-,16-/m0/s1 | Synonyms: | N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide | Definition date: | 2021-05-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}2-methyl-~{N}4-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethyl]furan-2,4-dicarboxamide |
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![V9N V9N](https://data.pdbj.org/pdbjplus/data/cc/svg/V9N.svg) | V9N | Name: | (3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide | Formula: | C23 H24 N2 O4 | SMILES: | CNC(=O)c1cc(cc2c1OC[C]2(C)c3ccccc3)C(=O)NC4[CH]5COC[CH]45 | InChi: | InChI=1S/C23H24N2O4/c1-23(14-6-4-3-5-7-14)12-29-20-15(22(27)24-2)8-13(9-18(20)23)21(26)25-19-16-10-28-11-17(16)19/h3-9,16-17,19H,10-12H2,1-2H3,(H,24,27)(H,25,26)/t16-,17+,19+,23-/m0/s1 | Synonyms: | rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide | Definition date: | 2021-05-02 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (3~{S})-~{N}7,3-dimethyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2~{H}-1-benzofuran-5,7-dicarboxamide |
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![V9Q V9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/V9Q.svg) | V9Q | Name: | (3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide | Formula: | C24 H23 N3 O4 | SMILES: | CNC(=O)c1cc(cc2[CH](COc12)c3cccc4[nH]ccc34)C(=O)NC5[CH]6COC[CH]56 | InChi: | InChI=1S/C24H23N3O4/c1-25-24(29)16-8-12(23(28)27-21-18-9-30-10-19(18)21)7-15-17(11-31-22(15)16)13-3-2-4-20-14(13)5-6-26-20/h2-8,17-19,21,26H,9-11H2,1H3,(H,25,29)(H,27,28)/t17-,18-,19+,21+/m0/s1 | Synonyms: | N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide | Definition date: | 2021-05-02 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (3~{S})-3-(1~{H}-indol-4-yl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide |
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