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Y4Z
Y4Z
Name:10-{[3-(trifluoromethoxy)phenyl]methyl}-3,4,5,10-tetrahydroazepino[3,4-b]indole-2(1H)-carboxamide
Formula:C21 H20 F3 N3 O2
SMILES:FC(F)(F)Oc1cccc(c1)Cn1c2ccccc2c2CCCN(Cc12)C(N)=O
InChi:InChI=1S/C21H20F3N3O2/c22-21(23,24)29-15-6-3-5-14(11-15)12-27-18-9-2-1-7-16(18)17-8-4-10-26(20(25)28)13-19(17)27/h1-3,5-7,9,11H,4,8,10,12-13H2,(H2,25,28)
Definition date:2023-06-11
Last modified:2024-12-13
Release date:2024-12-18
Identifier:10-{[3-(trifluoromethoxy)phenyl]methyl}-3,4,5,10-tetrahydroazepino[3,4-b]indole-2(1H)-carboxamide
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
Y8K
Y8K
Name:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Formula:C23 H24 F3 N3 O6 S
SMILES:NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2(C)C1)C(=O)OCc1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C23H24F3N3O6S/c1-22-13-28(20(30)16-4-8-19(9-5-16)36(27,32)33)10-17(22)11-29(14-22)21(31)34-12-15-2-6-18(7-3-15)35-23(24,25)26/h2-9,17H,10-14H2,1H3,(H2,27,32,33)/t17?,22-/m1/s1
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
YLU
YLU
Name:(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide
Formula:C24 H24 F N7 O
SMILES:Cc1ncc(nc1)CNC(=O)c1cc(cc(c1)n1nnnc1CCC)c1ccc(C)cc1F
InChi:InChI=1S/C24H24FN7O/c1-4-5-23-29-30-31-32(23)20-10-17(21-7-6-15(2)8-22(21)25)9-18(11-20)24(33)28-14-19-13-26-16(3)12-27-19/h6-13H,4-5,14H2,1-3H3,(H,28,33)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide
Y8N
Y8N
Name:BBO-8520 (bound form)
Formula:C35 H35 F6 N7 O2 S
SMILES:CCC(=O)N1CC(C)N(CC1C)c1nc(OCC23CCCN3CC(F)C2)nc2c1cc(c(c1ccc(F)c3sc(N)c(C#N)c13)c2F)C(F)(F)F
InChi:InChI=1S/C35H35F6N7O2S/c1-4-25(49)47-13-18(3)48(14-17(47)2)32-21-10-23(35(39,40)41)27(20-6-7-24(37)30-26(20)22(12-42)31(43)51-30)28(38)29(21)44-33(45-32)50-16-34-8-5-9-46(34)15-19(36)11-34/h6-7,10,17-19H,4-5,8-9,11,13-16,43H2,1-3H3/t17-,18+,19-,34+/m1/s1
Synonyms:(4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
Definition date:2023-11-28
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
Y8U
Y8U
Name:tert-butyl (5S,8M,12aR)-8-(4-chloro-2-fluorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxylate
Formula:C23 H23 Cl F N3 O4
SMILES:Clc1ccc(c(F)c1)c1ccc2NC(=O)C3CN(CCN3C(=O)c2c1)C(=O)OC(C)(C)C
InChi:InChI=1S/C23H23ClFN3O4/c1-23(2,3)32-22(31)27-8-9-28-19(12-27)20(29)26-18-7-4-13(10-16(18)21(28)30)15-6-5-14(24)11-17(15)25/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,26,29)/t19-/m1/s1
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:tert-butyl (5S,8M,12aR)-8-(4-chloro-2-fluorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxylate
Y9F
Y9F
Name:5-tert-butyl-2-methyl-4-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)methoxy]benzonitrile
Formula:C17 H21 N3 O2
SMILES:CC(C)(C)c1cc(C#N)c(C)cc1OCC=1CCC(=O)NN=1
InChi:InChI=1S/C17H21N3O2/c1-11-7-15(14(17(2,3)4)8-12(11)9-18)22-10-13-5-6-16(21)20-19-13/h7-8H,5-6,10H2,1-4H3,(H,20,21)
Definition date:2023-06-12
Last modified:2024-12-13
Release date:2024-12-18
Identifier:5-tert-butyl-2-methyl-4-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)methoxy]benzonitrile
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
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
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
YOC
YOC
Name:[2-fluoro-4-(trifluoromethyl)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
Formula:C23 H25 F4 N5 O3
SMILES:FC(F)(F)c1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1
InChi:InChI=1S/C23H25F4N5O3/c24-17-10-16(23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[2-fluoro-4-(trifluoromethyl)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
YPB
YPB
Name:(4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione
Formula:C27 H27 N3 O6
SMILES:Cc1ccc2c(OCCOc3ccccc3COC(=O)C3=C(C)NC=4N(CC)C(=O)NC(=O)C=4C32)c1
InChi:InChI=1S/C27H27N3O6/c1-4-30-24-23(25(31)29-27(30)33)22-18-10-9-15(2)13-20(18)35-12-11-34-19-8-6-5-7-17(19)14-36-26(32)21(22)16(3)28-24/h5-10,13,22,28H,4,11-12,14H2,1-3H3,(H,29,31,33)/t22-/m1/s1
Synonyms:JJ-II-363A
Definition date:2023-12-08
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione
YQ0
YQ0
Name:1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-4-fluoropiperidine-4-sulfonamide
Formula:C27 H36 F N5 O6 S
SMILES:NS(=O)(=O)C1(F)CCN(CC1)C(=O)N1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C27H36FN5O6S/c28-27(40(29,36)37)5-7-31(8-6-27)26(35)33-15-21-13-32(14-22(21)16-33)25(34)20-11-23(19-1-2-19)30-24(12-20)39-17-18-3-9-38-10-4-18/h11-12,18-19H,1-10,13-17H2,(H2,29,36,37)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-4-fluoropiperidine-4-sulfonamide
YQ5
YQ5
Name:5-fluoro-6-[5-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide
Formula:C25 H24 F4 N8 O4 S
SMILES:NS(=O)(=O)c1cc(F)c(nc1)C(=O)N1CC=2CN(CC=2C1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChi:InChI=1S/C25H24F4N8O4S/c1-14-32-34-37(33-14)13-16-6-19(25(27,28)29)4-2-15(16)3-5-22(38)35-9-17-11-36(12-18(17)10-35)24(39)23-21(26)7-20(8-31-23)42(30,40)41/h2,4,6-8H,3,5,9-13H2,1H3,(H2,30,40,41)
Definition date:2023-06-19
Last modified:2024-12-13
Release date:2024-12-18
Identifier:5-fluoro-6-[5-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide
YD0
YD0
Name:(2E)-1-[(3aR,8aS)-2-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
Formula:C25 H28 F3 N5 O3
SMILES:FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)N1CCc2[NH]ncc2C1
InChi:InChI=1S/C25H28F3N5O3/c26-25(27,28)36-21-4-1-17(2-5-21)3-6-23(34)31-10-7-18-14-33(15-19(18)8-11-31)24(35)32-12-9-22-20(16-32)13-29-30-22/h1-6,13,18-19H,7-12,14-16H2,(H,29,30)
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(2E)-1-[(3aR,8aS)-2-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
A1IRZ
A1IRZ
Name:(Ribitol-phosphate)3-(CH2)6-NH2
Formula:C21 H48 N O22 P3
SMILES:NCCCCCCO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO
InChi:InChI=1S/C21H48NO22P3/c22-5-3-1-2-4-6-39-45(33,34)40-9-15(26)20(31)16(27)10-43-47(37,38)44-12-18(29)21(32)17(28)11-42-46(35,36)41-8-14(25)19(30)13(24)7-23/h13-21,23-32H,1-12,22H2,(H,33,34)(H,35,36)(H,37,38)/t13-,14+,15+,16-,17-,18+,19-,20+,21-/m0/s1
Synonyms:[(2S,3S,4R)-5-[[(2S,3R,4R)-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
Definition date:2024-10-15
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[(2~{S},3~{S},4~{R})-5-[[(2~{S},3~{R},4~{R})-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
YEL
YEL
Name:5-tert-butyl-2-chloro-4-{[(4S)-7-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]methoxy}benzonitrile
Formula:C19 H21 Cl N4 O2
SMILES:CC(C)(C)c1cc(C#N)c(Cl)cc1OCc1ncc2C(=O)N(C)CCn21
InChi:InChI=1S/C19H21ClN4O2/c1-19(2,3)13-7-12(9-21)14(20)8-16(13)26-11-17-22-10-15-18(25)23(4)5-6-24(15)17/h7-8,10H,5-6,11H2,1-4H3
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:5-tert-butyl-2-chloro-4-{[(4S)-7-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]methoxy}benzonitrile
YFX
YFX
Name:[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
Formula:C24 H27 F4 N5 O4
SMILES:FC(F)(F)COc1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1
InChi:InChI=1S/C24H27F4N5O4/c25-18-10-17(37-14-24(26,27)28)3-1-16(18)11-36-22(35)32-7-5-23(6-8-32)12-33(13-23)21(34)15-2-4-19-20(9-15)30-31-29-19/h1,3,10,15H,2,4-9,11-14H2,(H,29,30,31)
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
A1A0O
A1A0O
Name:1-deoxy-1-(morpholin-4-yl)-D-fructose
Formula:C10 H19 N O6
SMILES:O=C(CN1CCOCC1)C(O)C(O)C(O)CO
InChi:InChI=1S/C10H19NO6/c12-6-8(14)10(16)9(15)7(13)5-11-1-3-17-4-2-11/h8-10,12,14-16H,1-6H2/t8-,9-,10-/m1/s1
Synonyms:1-Deoxy-1-morpholino-D-fructose
Definition date:2024-08-01
Last modified:2024-12-13
Release date:2024-12-18
Identifier:1-deoxy-1-(morpholin-4-yl)-D-fructose
X82
X82
Name:(2E)-1-[(3aR,8aS)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
Formula:C25 H28 F3 N5 O3
SMILES:FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)C1CCc2[NH]nnc2C1
InChi:InChI=1S/C25H28F3N5O3/c26-25(27,28)36-20-5-1-16(2-6-20)3-8-23(34)32-11-9-18-14-33(15-19(18)10-12-32)24(35)17-4-7-21-22(13-17)30-31-29-21/h1-3,5-6,8,17-19H,4,7,9-15H2,(H,29,30,31)
Definition date:2023-06-05
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(2E)-1-[(3aR,8aS)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
XDB
XDB
Name:3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide
Formula:C25 H28 F4 N6 O3 S2
SMILES:NS(=O)(=O)c1ccc(SCC2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1
InChi:InChI=1S/C25H28F4N6O3S2/c1-16-31-33-35(32-16)14-19-12-20(25(27,28)29)4-2-18(19)3-7-24(36)34-10-8-17(9-11-34)15-39-23-6-5-21(13-22(23)26)40(30,37)38/h2,4-6,12-13,17H,3,7-11,14-15H2,1H3,(H2,30,37,38)
Definition date:2023-06-06
Last modified:2024-12-13
Release date:2024-12-18
Identifier:3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide
XF3
XF3
Name:1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]piperidine-4-sulfonamide
Formula:C27 H37 N5 O6 S
SMILES:NS(=O)(=O)C1CCN(CC1)C(=O)N1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C27H37N5O6S/c28-39(35,36)23-3-7-30(8-4-23)27(34)32-15-21-13-31(14-22(21)16-32)26(33)20-11-24(19-1-2-19)29-25(12-20)38-17-18-5-9-37-10-6-18/h11-12,18-19,23H,1-10,13-17H2,(H2,28,35,36)
Definition date:2023-06-06
Last modified:2024-12-13
Release date:2024-12-18
Identifier:1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]piperidine-4-sulfonamide
XFO
XFO
Name:1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide
Formula:C28 H38 N4 O6 S
SMILES:NS(=O)(=O)C1CCN(CC1)C(=O)C1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C28H38N4O6S/c29-39(35,36)24-3-7-31(8-4-24)27(33)20-11-22-15-32(16-23(22)12-20)28(34)21-13-25(19-1-2-19)30-26(14-21)38-17-18-5-9-37-10-6-18/h13-14,18-20,24H,1-12,15-17H2,(H2,29,35,36)
Definition date:2023-06-06
Last modified:2024-12-13
Release date:2024-12-18
Identifier:1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide
XGW
XGW
Name:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Formula:C22 H24 F3 N5 O4
SMILES:FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)C1CCc2[NH]nnc2C1
InChi:InChI=1S/C22H24F3N5O4/c23-22(24,25)34-17-4-1-13(2-5-17)12-33-21(32)30-10-15-8-29(9-16(15)11-30)20(31)14-3-6-18-19(7-14)27-28-26-18/h1-2,4-5,14-16H,3,6-12H2,(H,26,27,28)
Definition date:2023-06-06
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
XH0
XH0
Name:2-{(R)-2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfinyl}-1,3-thiazole-5-sulfonamide
Formula:C23 H28 F3 N7 O4 S3
SMILES:O=S(N)(=O)c1cnc(s1)S(=O)CCC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChi:InChI=1S/C23H28F3N7O4S3/c1-15-29-31-33(30-15)14-18-12-19(23(24,25)26)4-2-17(18)3-5-20(34)32-9-6-16(7-10-32)8-11-39(35)22-28-13-21(38-22)40(27,36)37/h2,4,12-13,16H,3,5-11,14H2,1H3,(H2,27,36,37)/t39-/m1/s1
Definition date:2023-06-06
Last modified:2024-12-13
Release date:2024-12-18
Identifier:2-{(R)-2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfinyl}-1,3-thiazole-5-sulfonamide

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数据于2025-07-09公开中

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