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K1I
K1I
Name:3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one
Formula:C21 H14 F2 N4 O5 S
SMILES:CS(=O)(=O)c1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cccc2OC(F)(F)Oc12
InChi:InChI=1S/C21H14F2N4O5S/c1-33(29,30)14-5-2-4-13(12-14)26-11-9-17(28)19(25-26)15-8-10-24-27(15)16-6-3-7-18-20(16)32-21(22,23)31-18/h2-12H,1H3
Definition date:2022-02-02
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one
KI4
KI4
Name:N-{3-[(4R)-imidazo[1,2-a]pyridin-2-yl]phenyl}-1-methyl-3-[(pyrimidin-5-yl)amino]-1H-pyrazole-4-carboxamide
Formula:C22 H18 N8 O
SMILES:Cn1cc(c(Nc2cncnc2)n1)C(=O)Nc1cc(ccc1)c1cn2ccccc2n1
InChi:InChI=1S/C22H18N8O/c1-29-12-18(21(28-29)25-17-10-23-14-24-11-17)22(31)26-16-6-4-5-15(9-16)19-13-30-8-3-2-7-20(30)27-19/h2-14H,1H3,(H,25,28)(H,26,31)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-{3-[(4R)-imidazo[1,2-a]pyridin-2-yl]phenyl}-1-methyl-3-[(pyrimidin-5-yl)amino]-1H-pyrazole-4-carboxamide
KI8
KI8
Name:[4-(2-methoxyphenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone
Formula:C24 H24 N4 O2 S
SMILES:COc1ccccc1N1CCN(CC1)C(=O)c1cc2c(C)nn(c3ccccc3)c2s1
InChi:InChI=1S/C24H24N4O2S/c1-17-19-16-22(31-24(19)28(25-17)18-8-4-3-5-9-18)23(29)27-14-12-26(13-15-27)20-10-6-7-11-21(20)30-2/h3-11,16H,12-15H2,1-2H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:[4-(2-methoxyphenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone
JN6
JN6
Name:N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide
Formula:C20 H19 N7 O3
SMILES:O=C(NCCO)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1
InChi:InChI=1S/C20H19N7O3/c1-26-17(14(11-22-26)18(29)21-8-10-28)19(30)24-16-7-9-27-12-15(23-20(27)25-16)13-5-3-2-4-6-13/h2-7,9,11-12,28H,8,10H2,1H3,(H,21,29)(H,23,24,25,30)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide
KXD
KXD
Name:2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one
Formula:C38 H37 N9 O14 P2
SMILES:NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(COc8cccc9ccccc89)cc7)c%10c(N)ncnc6%10)c2N1
InChi:InChI=1S/C38H37N9O14P2/c39-32-26-22(20-10-8-18(9-11-20)13-55-23-7-3-5-19-4-1-2-6-21(19)23)12-46(33(26)42-16-41-32)36-29(49)30-25(59-36)15-57-63(53,54)61-31-28(48)24(14-56-62(51,52)60-30)58-37(31)47-17-43-27-34(47)44-38(40)45-35(27)50/h1-12,16-17,24-25,28-31,36-37,48-49H,13-15H2,(H,51,52)(H,53,54)(H2,39,41,42)(H3,40,44,45,50)/t24-,25-,28-,29-,30-,31-,36-,37-/m1/s1
Definition date:2022-06-07
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one
KIE
KIE
Name:N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine
Formula:C14 H14 F N5 S
SMILES:Fc1ccc(cc1)Sc1nc(nc2nc[NH]c12)N(C)CC
InChi:InChI=1S/C14H14FN5S/c1-3-20(2)14-18-12-11(16-8-17-12)13(19-14)21-10-6-4-9(15)5-7-10/h4-8H,3H2,1-2H3,(H,16,17,18,19)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine
K1X
K1X
Name:3-[1-(quinolin-4-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
Formula:C23 H14 F3 N5 O2
SMILES:FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1ccnc2ccccc12
InChi:InChI=1S/C23H14F3N5O2/c24-23(25,26)33-16-5-3-4-15(14-16)30-13-10-21(32)22(29-30)20-9-12-28-31(20)19-8-11-27-18-7-2-1-6-17(18)19/h1-14H
Definition date:2022-02-02
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[1-(quinolin-4-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
KII
KII
Name:1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
Formula:C19 H17 N7 O
SMILES:Cn1nc(cc1NC(=O)c1nn(C)cc1c1ccncc1)c1ncccc1
InChi:InChI=1S/C19H17N7O/c1-25-12-14(13-6-9-20-10-7-13)18(24-25)19(27)22-17-11-16(23-26(17)2)15-5-3-4-8-21-15/h3-12H,1-2H3,(H,22,27)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
KIS
KIS
Name:diethyl 1,1'-[oxydi(3,1-phenylene)]bis(5-methyl-1H-imidazole-4-carboxylate)
Formula:C26 H26 N4 O5
SMILES:O=C(OCC)c1ncn(c1C)c1cccc(c1)Oc1cccc(c1)n1cnc(c1C)C(=O)OCC
InChi:InChI=1S/C26H26N4O5/c1-5-33-25(31)23-17(3)29(15-27-23)19-9-7-11-21(13-19)35-22-12-8-10-20(14-22)30-16-28-24(18(30)4)26(32)34-6-2/h7-16H,5-6H2,1-4H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:diethyl 1,1'-[oxydi(3,1-phenylene)]bis(5-methyl-1H-imidazole-4-carboxylate)
JNL
JNL
Name:N-(2,3-dimethylquinoxalin-6-yl)-N'-(3-methoxyphenyl)urea
Formula:C18 H18 N4 O2
SMILES:COc1cccc(c1)NC(=O)Nc1cc2nc(C)c(C)nc2cc1
InChi:InChI=1S/C18H18N4O2/c1-11-12(2)20-17-10-14(7-8-16(17)19-11)22-18(23)21-13-5-4-6-15(9-13)24-3/h4-10H,1-3H3,(H2,21,22,23)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-(2,3-dimethylquinoxalin-6-yl)-N'-(3-methoxyphenyl)urea
KIY
KIY
Name:7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline
Formula:C17 H21 N3 O
SMILES:Cc1nc2cc(OCC3CC3)ccc2c(n1)N1CCCC1
InChi:InChI=1S/C17H21N3O/c1-12-18-16-10-14(21-11-13-4-5-13)6-7-15(16)17(19-12)20-8-2-3-9-20/h6-7,10,13H,2-5,8-9,11H2,1H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline
JNU
JNU
Name:(4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
Formula:C17 H20 F3 N7
SMILES:Cn1nc(nc1CCc1ccc2nc(c(C)n2n1)C(F)(F)F)N1CCCC1
InChi:InChI=1S/C17H20F3N7/c1-11-15(17(18,19)20)21-14-8-6-12(23-27(11)14)5-7-13-22-16(24-25(13)2)26-9-3-4-10-26/h6,8H,3-5,7,9-10H2,1-2H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
KJ3
KJ3
Name:(2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid
Formula:C28 H28 F N O6
SMILES:O=C(O)C(OC)Cc1ccc(OCCc2nc(oc2C)c2ccc(F)cc2OCC)c2ccccc21
InChi:InChI=1S/C28H28FNO6/c1-4-34-25-16-19(29)10-11-22(25)27-30-23(17(2)36-27)13-14-35-24-12-9-18(15-26(33-3)28(31)32)20-7-5-6-8-21(20)24/h5-12,16,26H,4,13-15H2,1-3H3,(H,31,32)/t26-/m0/s1
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid
K2L
K2L
Name:1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one
Formula:C17 H21 N7 O
SMILES:O=C1CCCN1c1nc(CCc2nc3c(C)cnc(C)n3n2)n(C)c1
InChi:InChI=1S/C17H21N7O/c1-11-9-18-12(2)24-17(11)19-13(21-24)6-7-14-20-15(10-22(14)3)23-8-4-5-16(23)25/h9-10H,4-8H2,1-3H3
Definition date:2022-02-02
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one
KJC
KJC
Name:6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C22 H26 N8 O3
SMILES:O=C(NCC(C)(C)O)c1nn(C)cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C22H26N8O3/c1-22(2,33)11-25-20(31)19-17(10-30(3)29-19)28-21(32)18-16(26-14-8-23-12-24-9-14)7-6-15(27-18)13-4-5-13/h6-10,12-13,26,33H,4-5,11H2,1-3H3,(H,25,31)(H,28,32)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
JO6
JO6
Name:(4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine
Formula:C16 H11 Cl3 N4 S
SMILES:Clc1cc(Cl)c(C)n2nc(nc12)CCc1nc2cc(Cl)ccc2s1
InChi:InChI=1S/C16H11Cl3N4S/c1-8-10(18)7-11(19)16-21-14(22-23(8)16)4-5-15-20-12-6-9(17)2-3-13(12)24-15/h2-3,6-7H,4-5H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine
JOF
JOF
Name:5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one
Formula:C11 H9 Cl N2 O2
SMILES:O=C1c2[NH]c3c(Cl)ccc(O)c3c2CN1C
InChi:InChI=1S/C11H9ClN2O2/c1-14-4-5-8-7(15)3-2-6(12)10(8)13-9(5)11(14)16/h2-3,13,15H,4H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one
JOO
JOO
Name:3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one
Formula:C20 H14 F2 N4 O3 S
SMILES:CS(=O)(=O)c1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1F
InChi:InChI=1S/C20H14F2N4O3S/c1-30(28,29)15-4-2-3-14(12-15)25-10-8-19(27)20(24-25)17-7-9-23-26(17)18-11-13(21)5-6-16(18)22/h2-12H,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one
K3F
K3F
Name:4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide
Formula:C18 H14 Cl N5 O
SMILES:O=C(Nc1ccc2[NH]c(nc2c1)c1ccccc1)c1c(Cl)cnn1C
InChi:InChI=1S/C18H14ClN5O/c1-24-16(13(19)10-20-24)18(25)21-12-7-8-14-15(9-12)23-17(22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25)(H,22,23)
Definition date:2022-02-02
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide
JP0
JP0
Name:N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea
Formula:C24 H22 N4 O3
SMILES:COc1ccc(cc1)CN(CC1=Nc2ccccc2C(=O)N1)C(=O)Nc1ccccc1
InChi:InChI=1S/C24H22N4O3/c1-31-19-13-11-17(12-14-19)15-28(24(30)25-18-7-3-2-4-8-18)16-22-26-21-10-6-5-9-20(21)23(29)27-22/h2-14H,15-16H2,1H3,(H,25,30)(H,26,27,29)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea
K3O
K3O
Name:N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula:C15 H14 F3 N5
SMILES:FC(F)(F)c1cccc(c1)c1c[NH]c2nc(N)nc(NCC)c21
InChi:InChI=1S/C15H14F3N5/c1-2-20-12-11-10(7-21-13(11)23-14(19)22-12)8-4-3-5-9(6-8)15(16,17)18/h3-7H,2H2,1H3,(H4,19,20,21,22,23)
Definition date:2022-02-02
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
K40
K40
Name:5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
Formula:C11 H8 Cl2 N2 O
SMILES:O=C1NCCc2c1[NH]c1c(Cl)ccc(Cl)c12
InChi:InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16)
Definition date:2022-02-02
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
JPF
JPF
Name:6-[(3-methylphenyl)sulfanyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine
Formula:C21 H21 N7 S
SMILES:Cc1cc(ccc1)Sc1nc(nc2[NH]cnc12)N1CCN(CC1)c1ccccn1
InChi:InChI=1S/C21H21N7S/c1-15-5-4-6-16(13-15)29-20-18-19(24-14-23-18)25-21(26-20)28-11-9-27(10-12-28)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-[(3-methylphenyl)sulfanyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine
K49
K49
Name:6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C23 H25 N7 O3
SMILES:O=C(Nc1cnccc1C(=O)NCC(C)(C)O)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C23H25N7O3/c1-23(2,33)12-27-21(31)16-7-8-24-11-19(16)30-22(32)20-18(28-15-9-25-13-26-10-15)6-5-17(29-20)14-3-4-14/h5-11,13-14,28,33H,3-4,12H2,1-2H3,(H,27,31)(H,30,32)
Definition date:2022-02-02
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
JPU
JPU
Name:(5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
Formula:C22 H26 N2 O4
SMILES:COc1ccc(cc1OC)C1=NN=C(C)C(CC)c2cc(OC)c(cc21)OC
InChi:InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

226262

PDB entries from 2024-10-16

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