![TBW TBW](https://data.pdbj.org/pdbjplus/data/cc/svg/TBW.svg) | TBW | Name: | 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | Formula: | C11 H12 N4 O3 S2 | SMILES: | O=S(N)(=O)c1nnc(NC(=O)CCc2ccccc2)s1 | InChi: | InChI=1S/C11H12N4O3S2/c12-20(17,18)11-15-14-10(19-11)13-9(16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,17,18)(H,13,14,16) | Definition date: | 2022-07-21 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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![TE3 TE3](https://data.pdbj.org/pdbjplus/data/cc/svg/TE3.svg) | TE3 | Name: | 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | Formula: | C10 H16 N4 O3 S2 | SMILES: | O=S(N)(=O)c1nnc(NC(=O)CC2CCCCC2)s1 | InChi: | InChI=1S/C10H16N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,16,17)(H,12,13,15) | Definition date: | 2022-07-21 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
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![90Q 90Q](https://data.pdbj.org/pdbjplus/data/cc/svg/90Q.svg) | 90Q | Name: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one | Formula: | C15 H11 Cl O5 | SMILES: | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(Cl)c3 | InChi: | InChI=1S/C15H11ClO5/c16-9-3-7(1-2-10(9)18)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,17-19H,6H2/t13-/m1/s1 | Definition date: | 2021-12-31 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
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![91C 91C](https://data.pdbj.org/pdbjplus/data/cc/svg/91C.svg) | 91C | Name: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one | Formula: | C15 H10 Cl2 O5 | SMILES: | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3cc(Cl)c(O)c(Cl)c3 | InChi: | InChI=1S/C15H10Cl2O5/c16-8-1-6(2-9(17)15(8)21)12-5-11(20)14-10(19)3-7(18)4-13(14)22-12/h1-4,12,18-19,21H,5H2/t12-/m1/s1 | Definition date: | 2021-12-31 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
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![KYF KYF](https://data.pdbj.org/pdbjplus/data/cc/svg/KYF.svg) | KYF | Name: | (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate | Formula: | C20 H24 F N3 O2 S | SMILES: | O=C(OC1CN2CCC1CC2)NC(C)(C)c1csc(n1)c1ccc(F)cc1 | InChi: | InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1 | Definition date: | 2022-02-22 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate |
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![E2E E2E](https://data.pdbj.org/pdbjplus/data/cc/svg/E2E.svg) | E2E | Name: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide | Formula: | C26 H23 Cl2 F N6 O4 | SMILES: | NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2nccc(F)c21 | InChi: | InChI=1S/C26H23Cl2FN6O4/c1-13-12-39-5-4-35(13)21-8-20(18(28)9-32-21)33-22(36)11-34-10-16(23-19(29)2-3-31-26(23)34)14-6-15(25(30)38)24(37)17(27)7-14/h2-3,6-10,13,37H,4-5,11-12H2,1H3,(H2,30,38)(H,32,33,36)/t13-/m0/s1 | Definition date: | 2021-12-01 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide |
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![ECK ECK](https://data.pdbj.org/pdbjplus/data/cc/svg/ECK.svg) | ECK | Name: | (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol | Formula: | C32 H56 O2 | SMILES: | CC(C)CCC[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C | InChi: | InChI=1S/C32H56O2/c1-22(2)9-7-10-23(11-8-18-30(3,4)34)27-14-15-28-26-13-12-24-21-25(33)16-19-31(24,5)29(26)17-20-32(27,28)6/h12,22-23,25-29,33-34H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1 | Definition date: | 2022-01-05 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol |
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![I7Y I7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/I7Y.svg) | I7Y | Name: | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | Formula: | C45 H74 O15 | SMILES: | OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1 | InChi: | InChI=1S/C45H74O15/c1-23-8-14-45(56-20-23)24(2)34-31(60-45)17-30-28-7-6-26-16-27(9-12-43(26,3)29(28)10-13-44(30,34)4)54-15-11-25(21-53-5)22-55-41-39(52)37(50)40(33(19-47)58-41)59-42-38(51)36(49)35(48)32(18-46)57-42/h6,23-25,27-42,46-52H,7-22H2,1-5H3/t23-,24+,25-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42-,43+,44+,45-/m1/s1 | Definition date: | 2022-01-21 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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![L82 L82](https://data.pdbj.org/pdbjplus/data/cc/svg/L82.svg) | L82 | Name: | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid | Formula: | C25 H26 N6 O2 S | SMILES: | OC(=O)[CH](CCCN1C(=S)NN=C1c2ccccc2)N(Cc3ccccn3)Cc4ccccn4 | InChi: | InChI=1S/C25H26N6O2S/c32-24(33)22(13-8-16-31-23(28-29-25(31)34)19-9-2-1-3-10-19)30(17-20-11-4-6-14-26-20)18-21-12-5-7-15-27-21/h1-7,9-12,14-15,22H,8,13,16-18H2,(H,29,34)(H,32,33)/t22-/m0/s1 | Definition date: | 2022-06-20 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid |
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![KLC KLC](https://data.pdbj.org/pdbjplus/data/cc/svg/KLC.svg) | KLC | Name: | (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one | Formula: | C24 H44 O8 | SMILES: | CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[CH](O)CCC[CH](OC)[CH](O)C(=O)O1)OC | InChi: | InChI=1S/C24H44O8/c1-7-16(14-25)11-15(2)19-12-17(30-5)13-21(27)24(3,4)20(26)10-8-9-18(31-6)22(28)23(29)32-19/h11,16-22,25-28H,7-10,12-14H2,1-6H3/b15-11-/t16-,17-,18-,19+,20+,21+,22+/m1/s1 | Definition date: | 2022-05-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one |
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![DO0 DO0](https://data.pdbj.org/pdbjplus/data/cc/svg/DO0.svg) | DO0 | Name: | 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione | Formula: | C14 H12 N2 O5 | SMILES: | O=C1NC(=O)CCC1(C)N1C(=O)c2cccc(O)c2C1=O | InChi: | InChI=1S/C14H12N2O5/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17)10(7)12(16)20/h2-4,17H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1 | Definition date: | 2021-11-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione |
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![DVO DVO](https://data.pdbj.org/pdbjplus/data/cc/svg/DVO.svg) | DVO | Name: | 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | Formula: | C15 H12 N2 O6 | SMILES: | O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C1(C)CCC(=O)NC1=O | InChi: | InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)/t15-/m1/s1 | Definition date: | 2021-11-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
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![E1I E1I](https://data.pdbj.org/pdbjplus/data/cc/svg/E1I.svg) | E1I | Name: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Formula: | C30 H28 Cl N9 O4 | SMILES: | N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=C(c3cn(C)nc3)N(C)C(=O)c12 | InChi: | InChI=1S/C30H28ClN9O4/c1-17-8-18(9-19(11-32)27(17)42)21-15-40(29-26(21)30(43)38(3)28(36-29)20-12-34-37(2)14-20)16-25(41)35-23-10-24(33-13-22(23)31)39-4-6-44-7-5-39/h8-10,12-15,42H,4-7,16H2,1-3H3,(H,33,35,41) | Definition date: | 2021-12-01 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
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![NUC NUC](https://data.pdbj.org/pdbjplus/data/cc/svg/NUC.svg) | NUC | Name: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide | Formula: | C23 H24 N4 O3 | SMILES: | NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C | InChi: | InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m0/s1 | Definition date: | 2022-04-08 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide |
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![OC0 OC0](https://data.pdbj.org/pdbjplus/data/cc/svg/OC0.svg) | OC0 | Name: | [(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron | Formula: | C9 H13 B N7 O6 S2 | SMILES: | O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)[B-](O)(O)O | InChi: | InChI=1S/C9H13BN7O6S2/c11-8-14-15-9(25-8)24-3-6(18)12-5(10(21,22)23)2-17-1-4(7(19)20)13-16-17/h1,5,21-23H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/q-1/t5-/m0/s1 | Definition date: | 2022-04-27 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | [(1R)-1-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-(4-carboxy-1H-1,2,3-triazol-1-yl)ethyl](trihydroxido)borate(1-) |
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![OQ4 OQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ4.svg) | OQ4 | Name: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide | Formula: | C32 H47 F N6 O4 S | SMILES: | CC(C)N(CC)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC2)CC2CCC(NS(=O)(=O)CC)CC2)C1 | InChi: | InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26- | Definition date: | 2022-03-31 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide |
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![AKQ AKQ](https://data.pdbj.org/pdbjplus/data/cc/svg/AKQ.svg) | AKQ | Name: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide | Formula: | C17 H18 Cl N5 O2 | SMILES: | C[CH]1C[CH](Nc2ncc(Cl)cn2)c3cc(ccc3N1C(C)=O)C(N)=O | InChi: | InChI=1S/C17H18ClN5O2/c1-9-5-14(22-17-20-7-12(18)8-21-17)13-6-11(16(19)25)3-4-15(13)23(9)10(2)24/h3-4,6-9,14H,5H2,1-2H3,(H2,19,25)(H,20,21,22)/t9-,14+/m0/s1 | Synonyms: | (2S,4R)-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide | Definition date: | 2021-11-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2~{S},4~{R})-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinoline-6-carboxamide |
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![AUS AUS](https://data.pdbj.org/pdbjplus/data/cc/svg/AUS.svg) | AUS | Name: | (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide | Formula: | C14 H18 N2 O2 | SMILES: | O=C(Nc1noc2CCCCc12)[CH]3CC34CCC4 | InChi: | InChI=1S/C14H18N2O2/c17-13(10-8-14(10)6-3-7-14)15-12-9-4-1-2-5-11(9)18-16-12/h10H,1-8H2,(H,15,16,17)/t10-/m0/s1 | Definition date: | 2021-12-06 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide |
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![8PD 8PD](https://data.pdbj.org/pdbjplus/data/cc/svg/8PD.svg) | 8PD | Name: | (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid | Formula: | C20 H39 N O4 | SMILES: | CCCCCCCCCCCCCCCC(=O)N[CH](CCO)C(O)=O | InChi: | InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1 | Definition date: | 2021-12-23 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid |
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![QFX QFX](https://data.pdbj.org/pdbjplus/data/cc/svg/QFX.svg) | QFX | Name: | (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine | Formula: | C17 H11 Cl N4 O | SMILES: | Clc1nnc2ccc(nn12)Oc1ccccc1c1ccccc1 | InChi: | InChI=1S/C17H11ClN4O/c18-17-20-19-15-10-11-16(21-22(15)17)23-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H | Definition date: | 2022-06-09 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine |
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![RCU RCU](https://data.pdbj.org/pdbjplus/data/cc/svg/RCU.svg) | RCU | Name: | ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate | Formula: | C15 H15 Cl F3 N O3 | SMILES: | CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F | InChi: | InChI=1S/C15H15ClF3NO3/c1-2-23-13(22)6-5-12(21)20-8-7-9-11(20)4-3-10(16)14(9)15(17,18)19/h3-4H,2,5-8H2,1H3 | Definition date: | 2022-11-29 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate |
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![RD9 RD9](https://data.pdbj.org/pdbjplus/data/cc/svg/RD9.svg) | RD9 | Name: | methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate | Formula: | C14 H14 F3 N O3 | SMILES: | COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F | InChi: | InChI=1S/C14H14F3NO3/c1-21-13(20)6-5-12(19)18-8-7-9-10(14(15,16)17)3-2-4-11(9)18/h2-4H,5-8H2,1H3 | Definition date: | 2022-11-29 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate |
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![RDO RDO](https://data.pdbj.org/pdbjplus/data/cc/svg/RDO.svg) | RDO | Name: | ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate | Formula: | C15 H16 F3 N O3 | SMILES: | CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F | InChi: | InChI=1S/C15H16F3NO3/c1-2-22-14(21)7-6-13(20)19-9-8-10-11(15(16,17)18)4-3-5-12(10)19/h3-5H,2,6-9H2,1H3 | Synonyms: | (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA
N-3,4-DIOL | Definition date: | 2022-11-29 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate |
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![REH REH](https://data.pdbj.org/pdbjplus/data/cc/svg/REH.svg) | REH | Name: | 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone | Formula: | C13 H14 F N O | SMILES: | CC(=O)N1CC2(CCC2)c3c(F)cccc13 | InChi: | InChI=1S/C13H14FNO/c1-9(16)15-8-13(6-3-7-13)12-10(14)4-2-5-11(12)15/h2,4-5H,3,6-8H2,1H3 | Definition date: | 2022-11-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone |
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![RFO RFO](https://data.pdbj.org/pdbjplus/data/cc/svg/RFO.svg) | RFO | Name: | 1-(4-chloranylindol-1-yl)-2-methoxy-ethanone | Formula: | C11 H10 Cl N O2 | SMILES: | COCC(=O)n1ccc2c(Cl)cccc12 | InChi: | InChI=1S/C11H10ClNO2/c1-15-7-11(14)13-6-5-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3 | Definition date: | 2022-11-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 1-(4-chloranylindol-1-yl)-2-methoxy-ethanone |
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