![LWX LWX](https://data.pdbj.org/pdbjplus/data/cc/svg/LWX.svg) | LWX | Name: | 6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2S)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one | Formula: | C30 H33 Br N6 O2 | SMILES: | CN1CCN(CC1)c2ccc(Nc3ncc4C=C(C(=O)N(C[CH]5CCCO5)c4n3)c6ccccc6Br)cc2C | InChi: | InChI=1S/C30H33BrN6O2/c1-20-16-22(9-10-27(20)36-13-11-35(2)12-14-36)33-30-32-18-21-17-25(24-7-3-4-8-26(24)31)29(38)37(28(21)34-30)19-23-6-5-15-39-23/h3-4,7-10,16-18,23H,5-6,11-15,19H2,1-2H3,(H,32,33,34)/t23-/m0/s1 | Definition date: | 2022-12-16 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2~{S})-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one |
|
![LXO LXO](https://data.pdbj.org/pdbjplus/data/cc/svg/LXO.svg) | LXO | Name: | 4-(pyridin-4-ylamino)butanoic acid | Formula: | C9 H12 N2 O2 | SMILES: | OC(=O)CCCNc1ccncc1 | InChi: | InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13) | Definition date: | 2022-12-16 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 4-(pyridin-4-ylamino)butanoic acid |
|
![9NY 9NY](https://data.pdbj.org/pdbjplus/data/cc/svg/9NY.svg) | 9NY | Name: | Hexacosanoyl-CoA | Formula: | C47 H86 N7 O17 P3 S | SMILES: | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/t36-,40-,41-,42+,46-/m1/s1 | Synonyms: | C26:0 Coenzyme A | Definition date: | 2023-04-14 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] hexacosanethioate |
|
![J7D J7D](https://data.pdbj.org/pdbjplus/data/cc/svg/J7D.svg) | J7D | Name: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol | Formula: | C6 H14 N O9 P | SMILES: | OP(OCC(O)C(C(O)CN(O)C=O)O)(=O)O | InChi: | InChI=1S/C6H14NO9P/c8-3-7(12)1-4(9)6(11)5(10)2-16-17(13,14)15/h3-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-/m0/s1 | Definition date: | 2018-08-20 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol |
|
![F3Y F3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/F3Y.svg) | F3Y | Name: | ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide | Formula: | C20 H26 N2 O2 | SMILES: | CCCCCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1 | InChi: | InChI=1S/C20H26N2O2/c1-3-5-6-13-24-19-12-8-11-18(15-19)21-16-9-7-10-17(14-16)22-20(23)4-2/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,22,23) | Definition date: | 2023-07-18 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide |
|
![B3F B3F](https://data.pdbj.org/pdbjplus/data/cc/svg/B3F.svg) | B3F | Name: | ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | Formula: | C20 H26 N2 O2 | SMILES: | CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1 | InChi: | InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23) | Definition date: | 2023-07-17 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide |
|
![UDI UDI](https://data.pdbj.org/pdbjplus/data/cc/svg/UDI.svg) | UDI | Name: | butane-1,4-dithiol | Formula: | C4 H10 S2 | SMILES: | SCCCCS | InChi: | InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2 | Synonyms: | 1,2-dithiane 1-oxide (reacted) | Definition date: | 2023-02-01 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | butane-1,4-dithiol |
|
![UHU UHU](https://data.pdbj.org/pdbjplus/data/cc/svg/UHU.svg) | UHU | Name: | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol | Formula: | C6 H11 N O3 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12 | InChi: | InChI=1S/C6H11NO3/c8-1-2-3-4(7-3)6(10)5(2)9/h2-10H,1H2/t2-,3+,4+,5+,6+/m1/s1 | Definition date: | 2023-09-05 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol |
|
![UI5 UI5](https://data.pdbj.org/pdbjplus/data/cc/svg/UI5.svg) | UI5 | Name: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol | Formula: | C6 H13 N O3 | SMILES: | N[CH]1C[CH](O)[CH](O)[CH]1CO | InChi: | InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1 | Definition date: | 2023-09-05 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol |
|
![UJR UJR](https://data.pdbj.org/pdbjplus/data/cc/svg/UJR.svg) | UJR | Name: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal | Formula: | C7 H8 I N3 O S | SMILES: | N[CH](CSc1ncc(I)cn1)C=O | InChi: | InChI=1S/C7H8IN3OS/c8-5-1-10-7(11-2-5)13-4-6(9)3-12/h1-3,6H,4,9H2/t6-/m1/s1 | Synonyms: | arylated cysteine | Definition date: | 2023-02-06 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal |
|
![Y8O Y8O](https://data.pdbj.org/pdbjplus/data/cc/svg/Y8O.svg) | Y8O | Name: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C24 H37 F2 N5 O4 | SMILES: | CC1(C)C2C(C(=O)NC(C=N)CC3CCCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)F)C(C)(C)C | InChi: | InChI=1S/C24H37F2N5O4/c1-23(2,3)17(30-21(34)18(25)26)22(35)31-11-14-15(24(14,4)5)16(31)20(33)29-13(10-27)9-12-7-6-8-28-19(12)32/h10,12-18,27H,6-9,11H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)/b27-10-/t12-,13-,14-,15-,16-,17+/m0/s1 | Definition date: | 2023-01-12 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
|
![ZTA ZTA](https://data.pdbj.org/pdbjplus/data/cc/svg/ZTA.svg) | ZTA | Name: | (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde | Formula: | C15 H10 O3 | SMILES: | O=Cc1c2cc(ccc2ccc1O)c1ccco1 | InChi: | InChI=1S/C15H10O3/c16-9-13-12-8-11(15-2-1-7-18-15)4-3-10(12)5-6-14(13)17/h1-9,17H | Definition date: | 2023-07-03 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde |
|
![V79 V79](https://data.pdbj.org/pdbjplus/data/cc/svg/V79.svg) | V79 | Name: | copper;trisodium;18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-21,23-diide-2-carboxylate | Formula: | C34 H34 Cu N4 O6 | SMILES: | CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(O)=O)C6=[N+]5[Cu]47[N]8C(=CC1=[N+]27)C(=C(C(O)=O)C8=C6CC(O)=O)C)c(C)c3C=C | InChi: | InChI=1S/C34H36N4O6.Cu/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23 | Definition date: | 2023-07-09 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 |
|
![VOC VOC](https://data.pdbj.org/pdbjplus/data/cc/svg/VOC.svg) | VOC | Name: | 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone | Formula: | C16 H16 N4 O2 | SMILES: | CCc1cccc2c([nH]nc12)C(=O)N3CCc4ocnc4C3 | InChi: | InChI=1S/C16H16N4O2/c1-2-10-4-3-5-11-14(10)18-19-15(11)16(21)20-7-6-13-12(8-20)17-9-22-13/h3-5,9H,2,6-8H2,1H3,(H,18,19) | Definition date: | 2023-08-02 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 6,7-dihydro-4~{H}-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2~{H}-indazol-3-yl)methanone |
|
![VOO VOO](https://data.pdbj.org/pdbjplus/data/cc/svg/VOO.svg) | VOO | Name: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide | Formula: | C26 H26 F N5 O2 | SMILES: | CNc1cc(F)cc2cc([nH]c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5 | InChi: | InChI=1S/C26H26FN5O2/c1-28-22-15-21(27)13-19-14-23(30-24(19)22)26(34)32-10-6-17-4-5-18(12-20(17)16-32)25(33)29-7-11-31-8-2-3-9-31/h2-5,8-9,12-15,28,30H,6-7,10-11,16H2,1H3,(H,29,33) | Definition date: | 2023-08-02 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 2-[[5-fluoranyl-7-(methylamino)-1~{H}-indol-2-yl]carbonyl]-~{N}-(2-pyrrol-1-ylethyl)-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide |
|
![VOZ VOZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VOZ.svg) | VOZ | Name: | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone | Formula: | C21 H21 N3 O | SMILES: | O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5 | InChi: | InChI=1S/C21H21N3O/c25-21(24-9-1-2-17-12-22-8-7-18(17)13-24)20-11-16-6-5-15(14-3-4-14)10-19(16)23-20/h5-8,10-12,14,23H,1-4,9,13H2 | Definition date: | 2023-08-02 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone |
|
![VP6 VP6](https://data.pdbj.org/pdbjplus/data/cc/svg/VP6.svg) | VP6 | Name: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone | Formula: | C21 H23 F N4 O2 | SMILES: | CC(C)(O)c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(N)c(F)c4C3 | InChi: | InChI=1S/C21H23FN4O2/c1-21(2,28)14-6-5-12-8-17(25-16(12)9-14)20(27)26-7-3-4-13-10-24-19(23)18(22)15(13)11-26/h5-6,8-10,25,28H,3-4,7,11H2,1-2H3,(H2,23,24) | Definition date: | 2023-08-02 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1~{H}-indol-2-yl]methanone |
|
![VQE VQE](https://data.pdbj.org/pdbjplus/data/cc/svg/VQE.svg) | VQE | Name: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine | Formula: | C16 H25 N5 | SMILES: | CCC(CC)c1cc(N[CH]2CC[CH](N)C2)n3nccc3n1 | InChi: | InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3 | Definition date: | 2023-08-03 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (1~{S},3~{S})-~{N}3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine |
|
![VSZ VSZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VSZ.svg) | VSZ | Name: | Cystargolide A (bound) | Formula: | C18 H32 N2 O6 | SMILES: | CC[CH](C)[CH](NC(=O)[CH](NC(=O)[CH](O)[CH](C=O)C(C)C)C(C)C)C(O)=O | InChi: | InChI=1S/C18H32N2O6/c1-7-11(6)14(18(25)26)20-16(23)13(10(4)5)19-17(24)15(22)12(8-21)9(2)3/h8-15,22H,7H2,1-6H3,(H,19,24)(H,20,23)(H,25,26)/t11-,12-,13-,14-,15+/m0/s1 | Synonyms: | (2S,3S)-2-[[(2S)-2-[[(2R,3S)-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid | Definition date: | 2023-03-31 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (2~{S},3~{S})-2-[[(2~{S})-2-[[(2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid |
|
![W0F W0F](https://data.pdbj.org/pdbjplus/data/cc/svg/W0F.svg) | W0F | Name: | [[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C11 H18 N5 O14 P3 | SMILES: | CO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23 | InChi: | InChI=1S/C11H18N5O14P3/c1-26-7-4(2-27-32(22,23)30-33(24,25)29-31(19,20)21)28-10(6(7)17)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10+/m0/s1 | Definition date: | 2023-09-08 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | [[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
|
![WB9 WB9](https://data.pdbj.org/pdbjplus/data/cc/svg/WB9.svg) | WB9 | Name: | 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-[(1~{R},2~{S},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium | Formula: | C26 H41 Br N O4 | SMILES: | COc1cc(Br)c(C[N+]2(CCOCC[CH]3CC[CH]4C[CH]3C4(C)C)CCOCC2)cc1OC | InChi: | InChI=1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1/t19-,21+,22+/m0/s1 | Definition date: | 2023-09-22 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-[(1~{R},2~{S},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium |
|
![WEE WEE](https://data.pdbj.org/pdbjplus/data/cc/svg/WEE.svg) | WEE | Name: | (2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol | Formula: | C15 H14 Cl F N6 O2 | SMILES: | N[CH](CO)Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2 | InChi: | InChI=1S/C15H14ClFN6O2/c16-10-5-13(17)15(19-6-10)25-12-3-1-9(2-4-12)14-20-22-23(21-14)7-11(18)8-24/h1-6,11,24H,7-8,18H2/t11-/m1/s1 | Definition date: | 2023-10-04 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (2~{R})-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol |
|
![WID WID](https://data.pdbj.org/pdbjplus/data/cc/svg/WID.svg) | WID | Name: | (2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol | Formula: | C20 H19 F N6 O2 | SMILES: | N[CH](CO)Cn1ccc(n1)c2ccc(Oc3ncc(cc3F)c4[nH]ncc4)cc2 | InChi: | InChI=1S/C20H19FN6O2/c21-17-9-14(18-5-7-24-25-18)10-23-20(17)29-16-3-1-13(2-4-16)19-6-8-27(26-19)11-15(22)12-28/h1-10,15,28H,11-12,22H2,(H,24,25)/t15-/m0/s1 | Definition date: | 2023-10-04 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol |
|
![WNH WNH](https://data.pdbj.org/pdbjplus/data/cc/svg/WNH.svg) | WNH | Name: | {(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol | Formula: | C17 H21 F3 N6 O | SMILES: | FC(F)(F)c1cc(nc(n1)N1CCC1CO)c1cn(nc1)C1CCNCC1 | InChi: | InChI=1S/C17H21F3N6O/c18-17(19,20)15-7-14(23-16(24-15)25-6-3-13(25)10-27)11-8-22-26(9-11)12-1-4-21-5-2-12/h7-9,12-13,21,27H,1-6,10H2/t13-/m1/s1 | Definition date: | 2023-10-09 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | {(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol |
|
![WRE WRE](https://data.pdbj.org/pdbjplus/data/cc/svg/WRE.svg) | WRE | Name: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one | Formula: | C18 H22 F3 N7 O | SMILES: | O=C(Cn1cc(cn1)c1cc(nc(n1)N1CCC1C)C(F)(F)F)N1CCNCC1 | InChi: | InChI=1S/C18H22F3N7O/c1-12-2-5-28(12)17-24-14(8-15(25-17)18(19,20)21)13-9-23-27(10-13)11-16(29)26-6-3-22-4-7-26/h8-10,12,22H,2-7,11H2,1H3/t12-/m0/s1 | Definition date: | 2023-10-10 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one |
|