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Y1Q
Y1Q
Name:N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide
Formula:C22 H25 F3 N6 O4 S
SMILES:NS(=O)(=O)c1ccc(cc1)OCCN(C)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChi:InChI=1S/C22H25F3N6O4S/c1-15-27-29-31(28-15)14-17-13-18(22(23,24)25)5-3-16(17)4-10-21(32)30(2)11-12-35-19-6-8-20(9-7-19)36(26,33)34/h3,5-9,13H,4,10-12,14H2,1-2H3,(H2,26,33,34)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide
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
Y23
Y23
Name:4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile
Formula:C25 H22 Cl N5 O
SMILES:N#Cc1ccc(cc1)Cn1c2ccc(Cl)cc2c2CCN(Cc12)C(=O)CCc1cnc[NH]1
InChi:InChI=1S/C25H22ClN5O/c26-19-5-7-23-22(11-19)21-9-10-30(25(32)8-6-20-13-28-16-29-20)15-24(21)31(23)14-18-3-1-17(12-27)2-4-18/h1-5,7,11,13,16H,6,8-10,14-15H2,(H,28,29)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile
Y29
Y29
Name:2-(4-chloroanilino)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one
Formula:C13 H12 Cl N5 O
SMILES:Clc1ccc(cc1)Nc1ncc2c(n1)N(C)C(=O)N2C
InChi:InChI=1S/C13H12ClN5O/c1-18-10-7-15-12(17-11(10)19(2)13(18)20)16-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16,17)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:2-(4-chloroanilino)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one
Y2H
Y2H
Name:4-[(7-benzyl-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
Formula:C26 H29 N7 O2
SMILES:CN1CCC(NC(=O)c2ccc(Nc3nc4N(C)C(=O)N(Cc5ccccc5)c4cn3)cc2)CC1
InChi:InChI=1S/C26H29N7O2/c1-31-14-12-21(13-15-31)28-24(34)19-8-10-20(11-9-19)29-25-27-16-22-23(30-25)32(2)26(35)33(22)17-18-6-4-3-5-7-18/h3-11,16,21H,12-15,17H2,1-2H3,(H,28,34)(H,27,29,30)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:4-[(7-benzyl-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
Y2L
Y2L
Name:4-methyl-5-({2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenoxy}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:C14 H14 F3 N7 O2
SMILES:FC(F)(F)c1cc(Cn2nc(C)nn2)c(cc1)OCC1=NNC(=O)N1C
InChi:InChI=1S/C14H14F3N7O2/c1-8-18-22-24(21-8)6-9-5-10(14(15,16)17)3-4-11(9)26-7-12-19-20-13(25)23(12)2/h3-5H,6-7H2,1-2H3,(H,20,25)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:4-methyl-5-({2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenoxy}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Y2Q
Y2Q
Name:(1H-benzotriazol-5-yl)[(3aR,5r,6aS)-5-[2-(3,5-dichlorophenyl)ethanesulfonyl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]methanone
Formula:C22 H22 Cl2 N4 O3 S
SMILES:Clc1cc(cc(Cl)c1)CCS(=O)(=O)C1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C22H22Cl2N4O3S/c23-17-5-13(6-18(24)10-17)3-4-32(30,31)19-7-15-11-28(12-16(15)8-19)22(29)14-1-2-20-21(9-14)26-27-25-20/h1-2,5-6,9-10,15-16,19H,3-4,7-8,11-12H2,(H,25,26,27)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(1H-benzotriazol-5-yl)[(3aR,5r,6aS)-5-[2-(3,5-dichlorophenyl)ethanesulfonyl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]methanone
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
Y2Z
Y2Z
Name:(1P)-5'-chloro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-6-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
Formula:C19 H16 Cl F3 N4 O4
SMILES:NC(=O)c1cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(OC(F)(F)F)cc1
InChi:InChI=1S/C19H16ClF3N4O4/c1-9-5-15(30-8-16-25-26-18(29)27(16)2)12(7-13(9)20)11-6-10(17(24)28)3-4-14(11)31-19(21,22)23/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,29)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(1P)-5'-chloro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-6-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
33B
33B
Name:3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
Formula:C16 H14 Cl2 N4 O8 S2
SMILES:ClCC(=O)Nc2ccc(/N=N/c1cc(c(NC(=O)CCl)cc1)S(=O)(=O)O)cc2S(=O)(=O)O
InChi:InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+
Definition date:2012-02-27
Last modified:2024-12-10
Identifier:3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
YHE
YHE
Name:(2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid
Formula:C18 H15 N O3
SMILES:O=C(O)/C=C/c1cc2c(onc2cc1)c1cc(C)cc(C)c1
InChi:InChI=1S/C18H15NO3/c1-11-7-12(2)9-14(8-11)18-15-10-13(4-6-17(20)21)3-5-16(15)19-22-18/h3-10H,1-2H3,(H,20,21)/b6-4+
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid
YHH
YHH
Name:(1S,2S)-2-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]cyclopropane-1-carboxylic acid
Formula:C19 H17 N O3
SMILES:O=C(O)C1CC1c1cc2c(onc2cc1)c1cc(C)cc(C)c1
InChi:InChI=1S/C19H17NO3/c1-10-5-11(2)7-13(6-10)18-16-8-12(3-4-17(16)20-23-18)14-9-15(14)19(21)22/h3-8,14-15H,9H2,1-2H3,(H,21,22)/t14-,15+/m1/s1
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(1S,2S)-2-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]cyclopropane-1-carboxylic acid
YHN
YHN
Name:3-(3,5-dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid
Formula:C16 H13 N O3
SMILES:O=C(O)c1cc2c(onc2cc1)c1cc(C)cc(C)c1
InChi:InChI=1S/C16H13NO3/c1-9-5-10(2)7-12(6-9)15-13-8-11(16(18)19)3-4-14(13)17-20-15/h3-8H,1-2H3,(H,18,19)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:3-(3,5-dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid
YHS
YHS
Name:(5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
Formula:C16 H13 N5 O
SMILES:Cc1cc(cc(C)c1)c1onc2ccc(cc12)c1nnn[NH]1
InChi:InChI=1S/C16H13N5O/c1-9-5-10(2)7-12(6-9)15-13-8-11(16-17-20-21-18-16)3-4-14(13)19-22-15/h3-8H,1-2H3,(H,17,18,20,21)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
YHW
YHW
Name:(5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
Formula:C14 H9 N5 O
SMILES:c1c(ccc2noc(c12)c1ccccc1)c1nnn[NH]1
InChi:InChI=1S/C14H9N5O/c1-2-4-9(5-3-1)13-11-8-10(14-15-18-19-16-14)6-7-12(11)17-20-13/h1-8H,(H,15,16,18,19)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
YI8
YI8
Name:(5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole
Formula:C15 H8 F3 N5 O
SMILES:FC(F)(F)c1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1
InChi:InChI=1S/C15H8F3N5O/c16-15(17,18)10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-24-13/h1-7H,(H,19,20,22,23)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole
Y4X
Y4X
Name:N-(1,3-benzothiazol-5-yl)-3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
Formula:C27 H22 F2 N4 O3 S
SMILES:Oc1ccc2[NH]cc(CC(=O)NC(Cc3cc(F)cc(F)c3)C(=O)N(C)c3cc4ncsc4cc3)c2c1
InChi:InChI=1S/C27H22F2N4O3S/c1-33(19-2-5-25-23(11-19)31-14-37-25)27(36)24(8-15-6-17(28)10-18(29)7-15)32-26(35)9-16-13-30-22-4-3-20(34)12-21(16)22/h2-7,10-14,24,30,34H,8-9H2,1H3,(H,32,35)/t24-/m1/s1
Definition date:2023-11-20
Last modified:2024-12-06
Release date:2024-12-11
Identifier:N-(1,3-benzothiazol-5-yl)-3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
YIB
YIB
Name:(5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole
Formula:C15 H8 F3 N5 O2
SMILES:FC(F)(F)Oc1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1
InChi:InChI=1S/C15H8F3N5O2/c16-15(17,18)24-10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-25-13/h1-7H,(H,19,20,22,23)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole
YIG
YIG
Name:(5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
Formula:C20 H13 N5 O2
SMILES:c1c(ccc2noc(c12)c1ccc(Oc2ccccc2)cc1)c1nnn[NH]1
InChi:InChI=1S/C20H13N5O2/c1-2-4-15(5-3-1)26-16-9-6-13(7-10-16)19-17-12-14(20-21-24-25-22-20)8-11-18(17)23-27-19/h1-12H,(H,21,22,24,25)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
YIK
YIK
Name:N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide
Formula:C18 H14 N6 O2
SMILES:O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CC1
InChi:InChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide
YIU
YIU
Name:N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide
Formula:C20 H18 N6 O2
SMILES:O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CCCC1
InChi:InChI=1S/C20H18N6O2/c27-20(12-4-1-2-5-12)21-15-7-3-6-13(10-15)18-16-11-14(19-22-25-26-23-19)8-9-17(16)24-28-18/h3,6-12H,1-2,4-5H2,(H,21,27)(H,22,23,25,26)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide
YJ3
YJ3
Name:(3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
Formula:C19 H18 N6 O2
SMILES:c1c(ccc2noc(c12)c1cccc(OC2CCNCC2)c1)c1n[NH]nn1
InChi:InChI=1S/C19H18N6O2/c1-2-12(10-15(3-1)26-14-6-8-20-9-7-14)18-16-11-13(19-21-24-25-22-19)4-5-17(16)23-27-18/h1-5,10-11,14,20H,6-9H2,(H,21,22,24,25)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
YJB
YJB
Name:(3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
Formula:C19 H10 Cl2 N6 O2
SMILES:Clc1cc(Cl)cnc1Oc1cccc(c1)c1onc2ccc(cc12)c1nnn[NH]1
InChi:InChI=1S/C19H10Cl2N6O2/c20-12-8-15(21)19(22-9-12)28-13-3-1-2-10(6-13)17-14-7-11(18-23-26-27-24-18)4-5-16(14)25-29-17/h1-9H,(H,23,24,26,27)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
YJH
YJH
Name:(3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
Formula:C23 H24 N6 O
SMILES:c1c(ccc2noc(c12)c1cccc(c1)C1CCN(CC1)C1CCC1)c1nnn[NH]1
InChi:InChI=1S/C23H24N6O/c1-3-16(15-9-11-29(12-10-15)19-5-2-6-19)13-17(4-1)22-20-14-18(23-24-27-28-25-23)7-8-21(20)26-30-22/h1,3-4,7-8,13-15,19H,2,5-6,9-12H2,(H,24,25,27,28)
Definition date:2023-12-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
Y6C
Y6C
Name:4-oxidanylidene-4-(1,10-phenanthrolin-5-ylamino)but-2-enoic acid
Formula:C16 H11 N3 O3
SMILES:OC(=O)C=CC(=O)Nc1cc2cccnc2c3ncccc13
InChi:InChI=1S/C16H11N3O3/c20-13(5-6-14(21)22)19-12-9-10-3-1-7-17-15(10)16-11(12)4-2-8-18-16/h1-9H,(H,19,20)(H,21,22)/b6-5-
Definition date:2023-12-11
Last modified:2024-12-06
Release date:2024-12-11
Identifier:4-oxidanylidene-4-(1,10-phenanthrolin-5-ylamino)but-2-enoic acid

238582

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