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WEK
WEK
Name:2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-[(4-methoxybutyl)amino]-4-oxobutan-2-yl}-D-phenylalaninamide
Formula:C34 H38 Cl2 F N5 O4
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCOC
InChi:InChI=1S/C34H38Cl2FN5O4/c1-46-15-5-4-14-40-32(43)20-28(16-22-8-12-27(37)13-9-22)41-34(45)31(18-24-10-11-26(35)19-29(24)36)42-33(44)30(39)17-23-6-2-3-7-25(23)21-38/h2-3,6-13,19,28,30-31H,4-5,14-18,20,39H2,1H3,(H,40,43)(H,41,45)(H,42,44)/t28-,30+,31+/m0/s1
Definition date:2023-10-02
Last modified:2024-12-27
Release date:2025-01-01
Identifier:2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-[(4-methoxybutyl)amino]-4-oxobutan-2-yl}-D-phenylalaninamide
WEO
WEO
Name:2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(pent-4-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide
Formula:C34 H34 Cl2 F N5 O3
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCC#C
InChi:InChI=1S/C34H34Cl2FN5O3/c1-2-3-6-15-40-32(43)20-28(16-22-9-13-27(37)14-10-22)41-34(45)31(18-24-11-12-26(35)19-29(24)36)42-33(44)30(39)17-23-7-4-5-8-25(23)21-38/h1,4-5,7-14,19,28,30-31H,3,6,15-18,20,39H2,(H,40,43)(H,41,45)(H,42,44)/t28-,30+,31+/m0/s1
Definition date:2023-10-02
Last modified:2024-12-27
Release date:2025-01-01
Identifier:2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(pent-4-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide
WEX
WEX
Name:2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(2-phenylethyl)amino]butan-2-yl}-D-phenylalaninamide
Formula:C37 H36 Cl2 F N5 O3
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCc1ccccc1
InChi:InChI=1S/C37H36Cl2FN5O3/c38-29-13-12-27(32(39)21-29)20-34(45-36(47)33(42)19-26-8-4-5-9-28(26)23-41)37(48)44-31(18-25-10-14-30(40)15-11-25)22-35(46)43-17-16-24-6-2-1-3-7-24/h1-15,21,31,33-34H,16-20,22,42H2,(H,43,46)(H,44,48)(H,45,47)/t31-,33+,34+/m0/s1
Definition date:2023-10-02
Last modified:2024-12-27
Release date:2025-01-01
Identifier:2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(2-phenylethyl)amino]butan-2-yl}-D-phenylalaninamide
WF2
WF2
Name:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[4-(pyrrolidin-1-yl)butyl]amino}butan-2-yl]-D-phenylalaninamide
Formula:C37 H43 Cl2 F N6 O3
SMILES:N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN1CCCC1
InChi:InChI=1S/C37H43Cl2FN6O3/c38-29-12-11-27(32(39)22-29)21-34(45-36(48)33(42)20-26-7-1-2-8-28(26)24-41)37(49)44-31(19-25-9-13-30(40)14-10-25)23-35(47)43-15-3-4-16-46-17-5-6-18-46/h1-2,7-14,22,31,33-34H,3-6,15-21,23,42H2,(H,43,47)(H,44,49)(H,45,48)/t31-,33+,34+/m0/s1
Definition date:2023-10-02
Last modified:2024-12-27
Release date:2025-01-01
Identifier:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[4-(pyrrolidin-1-yl)butyl]amino}butan-2-yl]-D-phenylalaninamide
A1AFR
A1AFR
Name:1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]propan-1-one
Formula:C22 H24 N6 O3
SMILES:CCC(=O)N1CCC(C1)n1nc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc21
InChi:InChI=1S/C22H24N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h9-11,13,15H,4,7-8,12H2,1-3H3,(H2,23,24,25)/t15-/m0/s1
Definition date:2024-02-23
Last modified:2024-12-27
Release date:2025-01-01
Identifier:1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]propan-1-one
A1A5Q
A1A5Q
Name:4,6-dicyclopropyl-3-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
Formula:C20 H18 F4 N4 O
SMILES:FC(F)(F)c1ccc(cc1F)Cc1n(C)nc2C(=O)N(N=C(c12)C1CC1)C1CC1
InChi:InChI=1S/C20H18F4N4O/c1-27-15(9-10-2-7-13(14(21)8-10)20(22,23)24)16-17(11-3-4-11)26-28(12-5-6-12)19(29)18(16)25-27/h2,7-8,11-12H,3-6,9H2,1H3
Definition date:2024-09-10
Last modified:2024-12-27
Release date:2025-01-01
Identifier:4,6-dicyclopropyl-3-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
A1A6D
A1A6D
Name:3-[(R)-amino[3-chloro-4-(trifluoromethyl)phenyl](cyclopropyl)methyl]-6-cyclopropyl-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
Formula:C20 H19 Cl F3 N5 O
SMILES:FC(F)(F)c1ccc(cc1Cl)C(N)(c1n(C)nc2C(=O)N(N=Cc12)C1CC1)C1CC1
InChi:InChI=1S/C20H19ClF3N5O/c1-28-17(13-9-26-29(12-5-6-12)18(30)16(13)27-28)19(25,10-2-3-10)11-4-7-14(15(21)8-11)20(22,23)24/h4,7-10,12H,2-3,5-6,25H2,1H3/t19-/m1/s1
Definition date:2024-09-12
Last modified:2024-12-27
Release date:2025-01-01
Identifier:3-[(R)-amino[3-chloro-4-(trifluoromethyl)phenyl](cyclopropyl)methyl]-6-cyclopropyl-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
A1H1B
A1H1B
Name:D-glycero-beta-D-galacto-heptopyranose
Formula:C7 H14 O7
SMILES:OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1
Synonyms:D-glycero-beta-D-galacto-heptose
Definition date:2023-12-21
Last modified:2024-12-27
Release date:2025-01-01
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]oxane-2,3,4,5-tetrol
A1H1F
A1H1F
Name:6-deoxy-6-sulfo-beta-D-galacto-heptopyranose
Formula:C6 H12 O8 S
SMILES:O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
Synonyms:6-deoxy-6-sulfo-beta-D-galacto-heptose
Definition date:2023-12-21
Last modified:2024-12-27
Release date:2025-01-01
Identifier:[(2~{S},3~{R},4~{S},5~{R},6~{R})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid
WB0
WB0
Name:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-(methylamino)-4-oxobutan-2-yl]-D-phenylalaninamide
Formula:C30 H30 Cl2 F N5 O3
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NC
InChi:InChI=1S/C30H30Cl2FN5O3/c1-36-28(39)16-24(12-18-6-10-23(33)11-7-18)37-30(41)27(14-20-8-9-22(31)15-25(20)32)38-29(40)26(35)13-19-4-2-3-5-21(19)17-34/h2-11,15,24,26-27H,12-14,16,35H2,1H3,(H,36,39)(H,37,41)(H,38,40)/t24-,26+,27+/m0/s1
Definition date:2023-09-29
Last modified:2024-12-20
Release date:2024-12-25
Identifier:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-(methylamino)-4-oxobutan-2-yl]-D-phenylalaninamide
WB5
WB5
Name:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]-D-phenylalaninamide
Formula:C30 H31 Cl2 N5 O3
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccccc1)CC(=O)NC
InChi:InChI=1S/C30H31Cl2N5O3/c1-35-28(38)17-24(13-19-7-3-2-4-8-19)36-30(40)27(15-21-11-12-23(31)16-25(21)32)37-29(39)26(34)14-20-9-5-6-10-22(20)18-33/h2-12,16,24,26-27H,13-15,17,34H2,1H3,(H,35,38)(H,36,40)(H,37,39)/t24-,26+,27+/m0/s1
Definition date:2023-09-29
Last modified:2024-12-20
Release date:2024-12-25
Identifier:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]-D-phenylalaninamide
WC0
WC0
Name:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[2-(dimethylamino)ethyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide
Formula:C33 H37 Cl2 F N6 O3
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCN(C)C
InChi:InChI=1S/C33H37Cl2FN6O3/c1-42(2)14-13-39-31(43)19-27(15-21-7-11-26(36)12-8-21)40-33(45)30(17-23-9-10-25(34)18-28(23)35)41-32(44)29(38)16-22-5-3-4-6-24(22)20-37/h3-12,18,27,29-30H,13-17,19,38H2,1-2H3,(H,39,43)(H,40,45)(H,41,44)/t27-,29+,30+/m0/s1
Definition date:2023-09-29
Last modified:2024-12-20
Release date:2024-12-25
Identifier:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[2-(dimethylamino)ethyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide
WDK
WDK
Name:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[3-(dimethylamino)propyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide
Formula:C34 H39 Cl2 F N6 O3
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCN(C)C
InChi:InChI=1S/C34H39Cl2FN6O3/c1-43(2)15-5-14-40-32(44)20-28(16-22-8-12-27(37)13-9-22)41-34(46)31(18-24-10-11-26(35)19-29(24)36)42-33(45)30(39)17-23-6-3-4-7-25(23)21-38/h3-4,6-13,19,28,30-31H,5,14-18,20,39H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t28-,30+,31+/m0/s1
Definition date:2023-10-02
Last modified:2024-12-20
Release date:2024-12-25
Identifier:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[3-(dimethylamino)propyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide
YE9
YE9
Name:[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone
Formula:C30 H39 N5 O6
SMILES:O=C(c1cc(nc(OCC2CCOCC2)c1)C1CC1)N1CCC2CN(CC2CC1)C(=O)N1Cc2onc(O)c2CC1
InChi:InChI=1S/C30H39N5O6/c36-28-24-5-10-34(17-26(24)41-32-28)30(38)35-15-21-3-8-33(9-4-22(21)16-35)29(37)23-13-25(20-1-2-20)31-27(14-23)40-18-19-6-11-39-12-7-19/h13-14,19-22H,1-12,15-18H2,(H,32,36)
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone
Y1F
Y1F
Name:[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone
Formula:C30 H36 N6 O4
SMILES:O=C(c1ccc2[NH]nnc2c1)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C30H36N6O4/c37-29(21-3-4-25-27(13-21)33-34-32-25)36-16-22-5-9-35(10-6-23(22)17-36)30(38)24-14-26(20-1-2-20)31-28(15-24)40-18-19-7-11-39-12-8-19/h3-4,13-15,19-20,22-23H,1-2,5-12,16-18H2,(H,32,33,34)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone
YF9
YF9
Name:(2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
Formula:C19 H18 Cl N5 O3 S
SMILES:O=S(=O)(N1Cc2nc(NC3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1)C1COC1
InChi:InChI=1S/C19H18ClN5O3S/c20-14-1-11-3-15(4-17(11)12(2-14)5-21)23-19-22-6-13-7-25(8-18(13)24-19)29(26,27)16-9-28-10-16/h1-2,6,15-16H,3-4,7-10H2,(H,22,23,24)/t15-/m1/s1
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
Y1U
Y1U
Name:3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:C21 H19 Cl2 N5 O2
SMILES:Clc1cccc(Cl)c1N1Cc2cnc(nc2N(C)C1=O)NCC(O)c1ccccc1
InChi:InChI=1S/C21H19Cl2N5O2/c1-27-19-14(12-28(21(27)30)18-15(22)8-5-9-16(18)23)10-24-20(26-19)25-11-17(29)13-6-3-2-4-7-13/h2-10,17,29H,11-12H2,1H3,(H,24,25,26)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
YFI
YFI
Name:(2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
Formula:C17 H16 Cl N5 O2 S
SMILES:Clc1cc2CC(Cc2c(C#N)c1)Nc1ncc2CN(Cc2n1)S(C)(=O)=O
InChi:InChI=1S/C17H16ClN5O2S/c1-26(24,25)23-8-12-7-20-17(22-16(12)9-23)21-14-4-10-2-13(18)3-11(6-19)15(10)5-14/h2-3,7,14H,4-5,8-9H2,1H3,(H,20,21,22)/t14-/m1/s1
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
YG6
YG6
Name:1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one
Formula:C31 H39 N5 O3
SMILES:CC(C)c1cc2CCC(C)(C)c2cc1OCC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C31H39N5O3/c1-19(2)24-13-20-7-10-31(3,4)25(20)15-28(24)39-18-29(37)35-11-8-22-16-36(17-23(22)9-12-35)30(38)21-5-6-26-27(14-21)33-34-32-26/h5-6,13-15,19,22-23H,7-12,16-18H2,1-4H3,(H,32,33,34)
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one
Y2U
Y2U
Name:2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}-6-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
Formula:C18 H17 Cl N4 O2
SMILES:Clc1ccc2CC(Cc2c1)Nc1nc2CN(C3COC3)C(=O)c2cn1
InChi:InChI=1S/C18H17ClN4O2/c19-12-2-1-10-4-13(5-11(10)3-12)21-18-20-6-15-16(22-18)7-23(17(15)24)14-8-25-9-14/h1-3,6,13-14H,4-5,7-9H2,(H,20,21,22)/t13-/m0/s1
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}-6-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
Y3K
Y3K
Name:6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one
Formula:C32 H39 N5 O5
SMILES:O=C1Nc2ccc(cc2N1C)C(=O)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C32H39N5O5/c1-35-28-15-22(4-5-26(28)34-32(35)40)30(38)37-17-23-6-10-36(11-7-24(23)18-37)31(39)25-14-27(21-2-3-21)33-29(16-25)42-19-20-8-12-41-13-9-20/h4-5,14-16,20-21,23-24H,2-3,6-13,17-19H2,1H3,(H,34,40)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one
ZIW
ZIW
Name:N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
Formula:C18 H19 Cl N4 O3 S
SMILES:O=S(=O)(N1Cc2nc(NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1
InChi:InChI=1S/C18H19ClN4O3S/c19-14-2-1-11-4-15(5-12(11)3-14)21-18-20-6-13-7-23(8-17(13)22-18)27(24,25)16-9-26-10-16/h1-3,6,15-16H,4-5,7-10H2,(H,20,21,22)/t15-/m0/s1
Definition date:2023-06-23
Last modified:2024-12-13
Release date:2024-12-18
Identifier:N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
XQR
XQR
Name:S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbothioate
Formula:C22 H19 F3 N4 O3 S2
SMILES:FC(F)(F)c1ccc(cc1)Cc1ncnc2CCN(Cc12)C(=O)Sc1ccc(cc1)S(N)(=O)=O
InChi:InChI=1S/C22H19F3N4O3S2/c23-22(24,25)15-3-1-14(2-4-15)11-20-18-12-29(10-9-19(18)27-13-28-20)21(30)33-16-5-7-17(8-6-16)34(26,31)32/h1-8,13H,9-12H2,(H2,26,31,32)
Definition date:2023-06-08
Last modified:2024-12-13
Release date:2024-12-18
Identifier:S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbothioate
XRC
XRC
Name:2-(3,4-dichlorophenyl)-1-{4-[(4-fluorophenyl)methyl]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one
Formula:C22 H18 Cl2 F N3 O
SMILES:Clc1ccc(cc1Cl)CC(=O)N1CCc2ncnc(Cc3ccc(F)cc3)c2C1
InChi:InChI=1S/C22H18Cl2FN3O/c23-18-6-3-15(9-19(18)24)11-22(29)28-8-7-20-17(12-28)21(27-13-26-20)10-14-1-4-16(25)5-2-14/h1-6,9,13H,7-8,10-12H2
Definition date:2023-06-08
Last modified:2024-12-13
Release date:2024-12-18
Identifier:2-(3,4-dichlorophenyl)-1-{4-[(4-fluorophenyl)methyl]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one
Y6I
Y6I
Name:[3-fluoro-4-(trifluoromethoxy)phenyl]methyl (9R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydro-6H-pyrazolo[1,5-d][1,4]diazepine-6-carboxylate
Formula:C22 H21 F4 N7 O4
SMILES:FC(F)(F)Oc1ccc(cc1F)COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[NH]nnc2C1
InChi:InChI=1S/C22H21F4N7O4/c23-15-9-13(1-2-19(15)37-22(24,25)26)12-36-21(35)31-5-3-14-10-17(29-33(14)8-7-31)20(34)32-6-4-16-18(11-32)28-30-27-16/h1-2,9-10H,3-8,11-12H2,(H,27,28,30)
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[3-fluoro-4-(trifluoromethoxy)phenyl]methyl (9R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydro-6H-pyrazolo[1,5-d][1,4]diazepine-6-carboxylate

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数据于2025-07-23公开中

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