![TNU TNU](https://data.pdbj.org/pdbjplus/data/cc/svg/TNU.svg) | TNU | Name: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | Formula: | C9 H15 N3 O S | SMILES: | Cc1nc(sn1)N1CCOC(C)C1C | InChi: | InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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![TT3 TT3](https://data.pdbj.org/pdbjplus/data/cc/svg/TT3.svg) | TT3 | Name: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide | Formula: | C10 H12 F N O2 | SMILES: | CN(C)C(=O)COc1cccc(F)c1 | InChi: | InChI=1S/C10H12FNO2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide |
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![TV9 TV9](https://data.pdbj.org/pdbjplus/data/cc/svg/TV9.svg) | TV9 | Name: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide | Formula: | C11 H14 N2 O | SMILES: | CC(NC(=O)C1CC1)c1cccnc1 | InChi: | InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide |
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![TVR TVR](https://data.pdbj.org/pdbjplus/data/cc/svg/TVR.svg) | TVR | Name: | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one | Formula: | C10 H12 F N3 O | SMILES: | Fc1cccnc1N1CC(=O)NC(C)C1 | InChi: | InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one |
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![TWC TWC](https://data.pdbj.org/pdbjplus/data/cc/svg/TWC.svg) | TWC | Name: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one | Formula: | C6 H7 F3 N2 O | SMILES: | FC(F)(F)C=1CC(=O)N(CC)N=1 | InChi: | InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
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![TWR TWR](https://data.pdbj.org/pdbjplus/data/cc/svg/TWR.svg) | TWR | Name: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide | Formula: | C10 H13 F N2 O2 | SMILES: | CN(C)C(=O)COc1ccc(N)c(F)c1 | InChi: | InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide |
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![TX0 TX0](https://data.pdbj.org/pdbjplus/data/cc/svg/TX0.svg) | TX0 | Name: | thiophene-3-carboxylic acid | Formula: | C5 H4 O2 S | SMILES: | O=C(O)c1ccsc1 | InChi: | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | thiophene-3-carboxylic acid |
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![TZR TZR](https://data.pdbj.org/pdbjplus/data/cc/svg/TZR.svg) | TZR | Name: | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one | Formula: | C13 H17 N O2 | SMILES: | OCC1CN(CC1c1ccccc1)C(=O)C | InChi: | InChI=1S/C13H17NO2/c1-10(16)14-7-12(9-15)13(8-14)11-5-3-2-4-6-11/h2-6,12-13,15H,7-9H2,1H3/t12-,13+/m1/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one |
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![U1I U1I](https://data.pdbj.org/pdbjplus/data/cc/svg/U1I.svg) | U1I | Name: | methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate | Formula: | C13 H17 N O2 | SMILES: | COC(=O)C1(CCNC1)c1ccc(C)cc1 | InChi: | InChI=1S/C13H17NO2/c1-10-3-5-11(6-4-10)13(12(15)16-2)7-8-14-9-13/h3-6,14H,7-9H2,1-2H3/t13-/m0/s1 | Definition date: | 2023-08-29 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate |
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![U1X U1X](https://data.pdbj.org/pdbjplus/data/cc/svg/U1X.svg) | U1X | Name: | N-phenylpyrrolidine-1-carboxamide | Formula: | C11 H14 N2 O | SMILES: | O=C(Nc1ccccc1)N1CCCC1 | InChi: | InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14) | Definition date: | 2023-08-29 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | N-phenylpyrrolidine-1-carboxamide |
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![U29 U29](https://data.pdbj.org/pdbjplus/data/cc/svg/U29.svg) | U29 | Name: | methyl (5S)-1-acetyl-5-methyl-L-prolinate | Formula: | C9 H15 N O3 | SMILES: | CC1CCC(C(=O)OC)N1C(=O)C | InChi: | InChI=1S/C9H15NO3/c1-6-4-5-8(9(12)13-3)10(6)7(2)11/h6,8H,4-5H2,1-3H3/t6-,8-/m0/s1 | Definition date: | 2023-08-29 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | methyl (5S)-1-acetyl-5-methyl-L-prolinate |
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![U2R U2R](https://data.pdbj.org/pdbjplus/data/cc/svg/U2R.svg) | U2R | Name: | (4-fluorophenoxy)acetic acid | Formula: | C8 H7 F O3 | SMILES: | O=C(O)COc1ccc(F)cc1 | InChi: | InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) | Definition date: | 2023-08-29 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (4-fluorophenoxy)acetic acid |
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![U3C U3C](https://data.pdbj.org/pdbjplus/data/cc/svg/U3C.svg) | U3C | Name: | N-(6-methylpyridin-2-yl)-D-prolinamide | Formula: | C11 H15 N3 O | SMILES: | O=C(Nc1cccc(C)n1)C1CCCN1 | InChi: | InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m1/s1 | Definition date: | 2023-08-29 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | N-(6-methylpyridin-2-yl)-D-prolinamide |
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![U3R U3R](https://data.pdbj.org/pdbjplus/data/cc/svg/U3R.svg) | U3R | Name: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid | Formula: | C13 H15 N O3 | SMILES: | OC(=O)C1CN(CC1c1ccccc1)C(=O)C | InChi: | InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m1/s1 | Definition date: | 2023-08-29 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid |
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![U4C U4C](https://data.pdbj.org/pdbjplus/data/cc/svg/U4C.svg) | U4C | Name: | (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one | Formula: | C12 H14 N2 O | SMILES: | O=C1Nc2ccccc2CC21CCCN2 | InChi: | InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m0/s1 | Definition date: | 2023-08-29 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one |
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![U4Z U4Z](https://data.pdbj.org/pdbjplus/data/cc/svg/U4Z.svg) | U4Z | Name: | gamma-Carotene | Formula: | C40 H56 | SMILES: | CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C | InChi: | InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+ | Synonyms: | 2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene | Definition date: | 2023-05-15 | Last modified: | 2023-11-24 | Release date: | 2023-11-22 | Identifier: | 2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene |
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![U9R U9R](https://data.pdbj.org/pdbjplus/data/cc/svg/U9R.svg) | U9R | Name: | (2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name) | Formula: | C8 H11 N3 O2 S | SMILES: | O=C(Nc1cnns1)C1OCCC1C | InChi: | InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7+/m1/s1 | Definition date: | 2023-08-31 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name) |
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![43I 43I](https://data.pdbj.org/pdbjplus/data/cc/svg/43I.svg) | 43I | Name: | 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide | Formula: | C23 H31 Cl2 N7 O | SMILES: | CC[CH]1CN(CCN1C2CCN(CC2)Cc3ccc(Cl)cc3)c4nc(N)c(nc4Cl)C(N)=O | InChi: | InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1 | Definition date: | 2023-01-04 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 3-azanyl-6-chloranyl-5-[(3~{S})-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide |
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![4AI 4AI](https://data.pdbj.org/pdbjplus/data/cc/svg/4AI.svg) | 4AI | Name: | (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide | Formula: | | SMILES: | NC(=N)NCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC4CCCCC4 | InChi: | InChI=1S/C33H44N6O4/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36)/t27-,28-/m0/s1 | Synonyms: | PS372424 | Definition date: | 2023-01-05 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (3~{S})-~{N}-[(2~{S})-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide |
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![FI6 FI6](https://data.pdbj.org/pdbjplus/data/cc/svg/FI6.svg) | FI6 | Name: | N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide | Formula: | C32 H28 F3 N5 O4 | SMILES: | CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5 | InChi: | InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1 | Synonyms: | (+/-)-AMG 487 | Definition date: | 2023-07-20 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | ~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide |
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![9MF 9MF](https://data.pdbj.org/pdbjplus/data/cc/svg/9MF.svg) | 9MF | Name: | methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate | Formula: | C20 H21 F N2 O2 | SMILES: | COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2 | InChi: | InChI=1S/C20H21FN2O2/c1-5-10-23(13-16-6-8-17(21)9-7-16)18-11-14(2)19(15(3)12-18)22-20(24)25-4/h1,6-9,11-12H,10,13H2,2-4H3,(H,22,24) | Synonyms: | HN37 | Definition date: | 2023-04-12 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | methyl ~{N}-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate |
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![KXL KXL](https://data.pdbj.org/pdbjplus/data/cc/svg/KXL.svg) | KXL | Name: | (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide | Formula: | C22 H28 N4 O4 | SMILES: | CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(=O)NCCc2ccccn2 | InChi: | InChI=1S/C22H28N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18-19,27H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1 | Definition date: | 2022-06-07 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-~{N}'-(2-pyridin-2-ylethyl)butanediamide |
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![K1L K1L](https://data.pdbj.org/pdbjplus/data/cc/svg/K1L.svg) | K1L | Name: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one | Formula: | C21 H24 F N9 O11 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)N=CNc67 | InChi: | InChI=1S/C21H24FN9O11P2/c22-11-16-10(40-21(11)31-7-28-12-17(23)24-4-25-18(12)31)3-39-44(36,37)41-15-8(2-38-43(34,35)42-16)1-9(14(15)32)30-6-29-13-19(30)26-5-27-20(13)33/h4-11,14-16,21,32H,1-3H2,(H,34,35)(H,36,37)(H2,23,24,25)(H,26,27,33)/t8-,9-,10-,11-,14+,15-,16-,21-/m1/s1 | Definition date: | 2022-05-16 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one |
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![K43 K43](https://data.pdbj.org/pdbjplus/data/cc/svg/K43.svg) | K43 | Name: | 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine | Formula: | C22 H26 F2 N10 O8 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C22H26F2N10O8P2/c23-13-11(33-7-31-15-19(25)27-5-29-21(15)33)1-9-3-39-43(35,36)42-18-10(4-40-44(37,38)41-17(9)13)2-12(14(18)24)34-8-32-16-20(26)28-6-30-22(16)34/h5-14,17-18H,1-4H2,(H,35,36)(H,37,38)(H2,25,27,29)(H2,26,28,30)/t9-,10-,11-,12-,13+,14+,17-,18-/m1/s1 | Synonyms: | 3',3'-c-di-(2'F,2'dAMP) | Definition date: | 2022-05-19 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine |
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![E7J E7J](https://data.pdbj.org/pdbjplus/data/cc/svg/E7J.svg) | E7J | Name: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid | Formula: | C12 H14 O5 | SMILES: | OCCCCOC(=O)c1ccc(cc1)C(O)=O | InChi: | InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15) | Definition date: | 2023-06-14 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid |
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