Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
Y9L
Y9L
Name:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(2-oxo-1,2-dihydro[1,3]oxazolo[5,4-b]pyridine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Formula:C22 H19 F3 N4 O6
SMILES:FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)c1ccc2NC(=O)Oc2n1
InChi:InChI=1S/C22H19F3N4O6/c23-22(24,25)35-15-3-1-12(2-4-15)11-33-21(32)29-9-13-7-28(8-14(13)10-29)19(30)17-6-5-16-18(26-17)34-20(31)27-16/h1-6,13-14H,7-11H2,(H,27,31)
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(2-oxo-1,2-dihydro[1,3]oxazolo[5,4-b]pyridine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Y9O
Y9O
Name:5-({[(1M)-5-chloro-4-methyl-3'-(morpholine-4-carbonyl)[1,1'-biphenyl]-2-yl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:C22 H23 Cl N4 O4
SMILES:O=C(c1cccc(c1)c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C)N1CCOCC1
InChi:InChI=1S/C22H23ClN4O4/c1-14-10-19(31-13-20-24-25-22(29)26(20)2)17(12-18(14)23)15-4-3-5-16(11-15)21(28)27-6-8-30-9-7-27/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,29)
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:5-({[(1M)-5-chloro-4-methyl-3'-(morpholine-4-carbonyl)[1,1'-biphenyl]-2-yl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Y9S
Y9S
Name:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(6-sulfamoylpyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Formula:C21 H21 F3 N4 O6 S
SMILES:NS(=O)(=O)c1ccc(cn1)C(=O)N1CC2CN(CC2C1)C(=O)OCc1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C21H21F3N4O6S/c22-21(23,24)34-17-4-1-13(2-5-17)12-33-20(30)28-10-15-8-27(9-16(15)11-28)19(29)14-3-6-18(26-7-14)35(25,31)32/h1-7,15-16H,8-12H2,(H2,25,31,32)
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(6-sulfamoylpyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
YN2
YN2
Name:4-{(1E)-3-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-oxoprop-1-en-1-yl}benzonitrile
Formula:C25 H24 N6 O2
SMILES:N#Cc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C25H24N6O2/c26-14-18-3-1-17(2-4-18)5-8-24(32)30-11-9-20-15-31(16-21(20)10-12-30)25(33)19-6-7-22-23(13-19)28-29-27-22/h1-8,13,20-21H,9-12,15-16H2,(H,27,28,29)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:4-{(1E)-3-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-oxoprop-1-en-1-yl}benzonitrile
Y9V
Y9V
Name:N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
Formula:C16 H14 Cl N5 O
SMILES:Cc1nc(on1)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1
InChi:InChI=1S/C16H14ClN5O/c1-9-20-15(23-22-9)12-7-18-16(19-8-12)21-14-5-10-2-3-13(17)4-11(10)6-14/h2-4,7-8,14H,5-6H2,1H3,(H,18,19,21)
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
XI4
XI4
Name:3-cyclopropyl-5-{3-ethyl-2-fluoro-6-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenoxy}benzonitrile
Formula:C22 H21 F N4 O3
SMILES:N#Cc1cc(cc(c1)C1CC1)Oc1c(OCC2=NNC(=O)N2C)ccc(CC)c1F
InChi:InChI=1S/C22H21FN4O3/c1-3-14-6-7-18(29-12-19-25-26-22(28)27(19)2)21(20(14)23)30-17-9-13(11-24)8-16(10-17)15-4-5-15/h6-10,15H,3-5,12H2,1-2H3,(H,26,28)
Definition date:2023-06-06
Last modified:2024-12-13
Release date:2024-12-18
Identifier:3-cyclopropyl-5-{3-ethyl-2-fluoro-6-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenoxy}benzonitrile
YN6
YN6
Name:(2R)-1-{[(2,1,3-benzothiadiazol-4-yl)oxy]acetyl}azetidine-2-carboxamide
Formula:C12 H12 N4 O3 S
SMILES:NC(=O)C1CCN1C(=O)COc1cccc2nsnc12
InChi:InChI=1S/C12H12N4O3S/c13-12(18)8-4-5-16(8)10(17)6-19-9-3-1-2-7-11(9)15-20-14-7/h1-3,8H,4-6H2,(H2,13,18)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(2R)-1-{[(2,1,3-benzothiadiazol-4-yl)oxy]acetyl}azetidine-2-carboxamide
XI8
XI8
Name:2-[(5M,9aM)-7-(1-acetylpiperidin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
Formula:C25 H26 Cl2 N4 O3
SMILES:O=C(C)N1CCC(CC1)C=1C=CC2=NC=C(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)C(=O)N2C=1
InChi:InChI=1S/C25H26Cl2N4O3/c1-16(32)30-9-7-18(8-10-30)19-4-6-23-28-13-20(25(34)31(23)15-19)12-24(33)29(2)14-17-3-5-21(26)22(27)11-17/h3-6,11,13,15,18H,7-10,12,14H2,1-2H3
Definition date:2023-06-06
Last modified:2024-12-13
Release date:2024-12-18
Identifier:2-[(5M,9aM)-7-(1-acetylpiperidin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
YA0
YA0
Name:(5Z)-5-[(4-phenoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Formula:C20 H18 N2 O2 S
SMILES:O=C1N=C(SC1=C/c1ccc(Oc2ccccc2)cc1)N1CCCC1
InChi:InChI=1S/C20H18N2O2S/c23-19-18(25-20(21-19)22-12-4-5-13-22)14-15-8-10-17(11-9-15)24-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(5Z)-5-[(4-phenoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
YNB
YNB
Name:[2-methyl-4-(trifluoromethoxy)phenyl]methyl (8R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
Formula:C22 H22 F3 N7 O4
SMILES:FC(F)(F)Oc1ccc(COC(=O)N2Cc3cc(nn3CC2)C(=O)N2CCc3[NH]nnc3C2)c(C)c1
InChi:InChI=1S/C22H22F3N7O4/c1-13-8-16(36-22(23,24)25)3-2-14(13)12-35-21(34)31-6-7-32-15(10-31)9-18(28-32)20(33)30-5-4-17-19(11-30)27-29-26-17/h2-3,8-9H,4-7,10-12H2,1H3,(H,26,27,29)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[2-methyl-4-(trifluoromethoxy)phenyl]methyl (8R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
XIC
XIC
Name:2,4-dichloro-N-phenyl-5-(piperidine-1-sulfonyl)benzamide
Formula:C18 H18 Cl2 N2 O3 S
SMILES:O=S(=O)(c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl)N1CCCCC1
InChi:InChI=1S/C18H18Cl2N2O3S/c19-15-12-16(20)17(26(24,25)22-9-5-2-6-10-22)11-14(15)18(23)21-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23)
Definition date:2023-06-06
Last modified:2024-12-13
Release date:2024-12-18
Identifier:2,4-dichloro-N-phenyl-5-(piperidine-1-sulfonyl)benzamide
YA8
YA8
Name:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-bromonaphthalen-2-yl)methanone
Formula:C26 H22 Br N5 O2
SMILES:Brc1ccc2cc(ccc2c1)C(=O)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C26H22BrN5O2/c27-18-5-3-14-7-16(2-1-15(14)8-18)25(33)31-10-19-20(11-31)22-13-32(12-21(19)22)26(34)17-4-6-23-24(9-17)29-30-28-23/h1-9,19-22H,10-13H2,(H,28,29,30)/t19-,20+,21+,22-
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-bromonaphthalen-2-yl)methanone
YNI
YNI
Name:5-tert-butyl-2-chloro-4-{[(5M)-5-(6-methoxypyrimidin-4-yl)-1-methyl-1H-imidazol-2-yl]methoxy}benzonitrile
Formula:C21 H22 Cl N5 O2
SMILES:Cn1c(cnc1COc1cc(Cl)c(C#N)cc1C(C)(C)C)c1cc(OC)ncn1
InChi:InChI=1S/C21H22ClN5O2/c1-21(2,3)14-6-13(9-23)15(22)7-18(14)29-11-19-24-10-17(27(19)4)16-8-20(28-5)26-12-25-16/h6-8,10,12H,11H2,1-5H3
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:5-tert-butyl-2-chloro-4-{[(5M)-5-(6-methoxypyrimidin-4-yl)-1-methyl-1H-imidazol-2-yl]methoxy}benzonitrile
YAB
YAB
Name:(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2S)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
Formula:C18 H19 Cl N4 O
SMILES:Clc1ccc(cc1)c1cnn2c(NCC3CCCO3)cc(C)nc21
InChi:InChI=1S/C18H19ClN4O/c1-12-9-17(20-10-15-3-2-8-24-15)23-18(22-12)16(11-21-23)13-4-6-14(19)7-5-13/h4-7,9,11,15,20H,2-3,8,10H2,1H3
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2S)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
YNN
YNN
Name:7-[(2R)-3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid
Formula:C27 H30 O9
SMILES:CC(=O)c1ccc(OCC(O)COc2ccc3c(OC(=CC3=O)C(=O)O)c2CCC)c(CCC)c1O
InChi:InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:7-[(2R)-3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid
YNO
YNO
Name:5-bromanyl-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-chloranyl-1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-oxan-2-yl]sulfanyl-pyridine-2-carbonitrile
Formula:C18 H16 Br Cl N6 O4 S2
SMILES:CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3scc(Cl)n3)Sc4cc(Br)cnc4C#N
InChi:InChI=1S/C18H16BrClN6O4S2/c1-29-16-14(26-5-10(24-25-26)17-23-13(20)7-31-17)15(28)11(6-27)30-18(16)32-12-2-8(19)4-22-9(12)3-21/h2,4-5,7,11,14-16,18,27-28H,6H2,1H3/t11-,14+,15+,16-,18-/m1/s1
Definition date:2023-12-07
Last modified:2024-12-13
Release date:2024-12-18
Identifier:5-bromanyl-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-chloranyl-1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-oxan-2-yl]sulfanyl-pyridine-2-carbonitrile
YAI
YAI
Name:4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-carbonyl]benzene-1-sulfonamide
Formula:C24 H26 F3 N7 O4 S
SMILES:NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChi:InChI=1S/C24H26F3N7O4S/c1-16-29-31-34(30-16)15-19-14-20(24(25,26)27)6-2-17(19)5-9-22(35)32-10-12-33(13-11-32)23(36)18-3-7-21(8-4-18)39(28,37)38/h2-4,6-8,14H,5,9-13,15H2,1H3,(H2,28,37,38)
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-carbonyl]benzene-1-sulfonamide
YNR
YNR
Name:5-tert-butyl-2-chloro-4-({(5M)-1-methyl-5-[5-(oxetan-3-yl)-1,2-oxazol-3-yl]-1H-imidazol-2-yl}methoxy)benzonitrile
Formula:C22 H23 Cl N4 O3
SMILES:CC(C)(C)c1cc(C#N)c(Cl)cc1OCc1ncc(n1C)c1cc(on1)C1COC1
InChi:InChI=1S/C22H23ClN4O3/c1-22(2,3)15-5-13(8-24)16(23)6-20(15)29-12-21-25-9-18(27(21)4)17-7-19(30-26-17)14-10-28-11-14/h5-7,9,14H,10-12H2,1-4H3
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:5-tert-butyl-2-chloro-4-({(5M)-1-methyl-5-[5-(oxetan-3-yl)-1,2-oxazol-3-yl]-1H-imidazol-2-yl}methoxy)benzonitrile
XIV
XIV
Name:4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}-2,3-difluorobenzene-1-sulfonamide
Formula:C26 H29 Cl F2 N4 O4 S
SMILES:NS(=O)(=O)c1ccc(c(F)c1F)C(=O)N1CCc2[NH]nc(OCc3cc(C)c(Cl)cc3C(C)(C)C)c2CC1
InChi:InChI=1S/C26H29ClF2N4O4S/c1-14-11-15(18(12-19(14)27)26(2,3)4)13-37-24-16-7-9-33(10-8-20(16)31-32-24)25(34)17-5-6-21(38(30,35)36)23(29)22(17)28/h5-6,11-12H,7-10,13H2,1-4H3,(H,31,32)(H2,30,35,36)
Definition date:2023-06-07
Last modified:2024-12-13
Release date:2024-12-18
Identifier:4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}-2,3-difluorobenzene-1-sulfonamide
YNX
YNX
Name:(2E)-1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
Formula:C23 H20 F3 N5 O3
SMILES:FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C23H20F3N5O3/c24-23(25,26)34-18-5-1-14(2-6-18)3-8-21(32)30-10-16-12-31(13-17(16)11-30)22(33)15-4-7-19-20(9-15)28-29-27-19/h1-9,16-17H,10-13H2,(H,27,28,29)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(2E)-1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
YAQ
YAQ
Name:(4S)-2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5(8H)-one
Formula:C18 H20 Cl N3 O
SMILES:Clc1ccc(cc1)c1cn2c(n1)N(CCCCC)C(C)=CC2=O
InChi:InChI=1S/C18H20ClN3O/c1-3-4-5-10-21-13(2)11-17(23)22-12-16(20-18(21)22)14-6-8-15(19)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(4S)-2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5(8H)-one
YO2
YO2
Name:[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{1-ethyl-4-[(propan-2-yl)oxy]-1H-indol-6-yl}methanone
Formula:C29 H32 N6 O3
SMILES:CC(C)Oc1cc(cc2n(CC)ccc21)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C29H32N6O3/c1-4-33-8-7-19-26(33)10-18(11-27(19)38-16(2)3)29(37)35-14-22-20-12-34(13-21(20)23(22)15-35)28(36)17-5-6-24-25(9-17)31-32-30-24/h5-11,16,20-23H,4,12-15H2,1-3H3,(H,30,31,32)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{1-ethyl-4-[(propan-2-yl)oxy]-1H-indol-6-yl}methanone
YAW
YAW
Name:3-fluoro-4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]benzene-1-sulfonamide
Formula:C23 H25 F4 N7 O3 S
SMILES:NS(=O)(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChi:InChI=1S/C23H25F4N7O3S/c1-15-29-31-34(30-15)14-17-12-18(23(25,26)27)4-2-16(17)3-7-22(35)33-10-8-32(9-11-33)21-6-5-19(13-20(21)24)38(28,36)37/h2,4-6,12-13H,3,7-11,14H2,1H3,(H2,28,36,37)
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:3-fluoro-4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]benzene-1-sulfonamide
XJ6
XJ6
Name:(2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
Formula:C19 H19 Cl N4 O2
SMILES:O=C(N1CCC21COC2)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1
InChi:InChI=1S/C19H19ClN4O2/c20-15-2-1-12-6-16(7-13(12)5-15)23-18-21-8-14(9-22-18)17(25)24-4-3-19(24)10-26-11-19/h1-2,5,8-9,16H,3-4,6-7,10-11H2,(H,21,22,23)/t16-/m0/s1
Definition date:2023-06-07
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
YO8
YO8
Name:2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-N-(1,1-dioxo-1lambda~6~-thietan-3-yl)-1-methyl-1H-imidazole-5-carboxamide
Formula:C20 H23 Cl N4 O4 S
SMILES:O=C(NC1CS(=O)(=O)C1)c1cnc(COc2cc(Cl)c(C#N)cc2C(C)(C)C)n1C
InChi:InChI=1S/C20H23ClN4O4S/c1-20(2,3)14-5-12(7-22)15(21)6-17(14)29-9-18-23-8-16(25(18)4)19(26)24-13-10-30(27,28)11-13/h5-6,8,13H,9-11H2,1-4H3,(H,24,26)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-N-(1,1-dioxo-1lambda~6~-thietan-3-yl)-1-methyl-1H-imidazole-5-carboxamide

237992

数据于2025-06-25公开中

PDB statisticsPDBj update infoContact PDBjnumon