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9US
9US
Name:1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:C27 H22 N2 O5
SMILES:CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4cccc5ccccc45
InChi:InChI=1S/C27H22N2O5/c1-15-17(25(32)24-21(30)11-6-12-22(24)31)13-14-20-23(15)26(33)29(27(34)28(20)2)19-10-5-8-16-7-3-4-9-18(16)19/h3-5,7-10,13-14,30H,6,11-12H2,1-2H3
Definition date:2022-03-14
Last modified:2022-05-27
Release date:2022-06-01
Identifier:1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
9WC
9WC
Name:1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
Formula:C22 H18 N2 O5
SMILES:CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4
InChi:InChI=1S/C22H18N2O5/c1-23-16-11-10-13(20(27)19-17(25)8-5-9-18(19)26)12-15(16)21(28)24(22(23)29)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3
Definition date:2022-03-14
Last modified:2022-05-27
Release date:2022-06-01
Identifier:1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
9XI
9XI
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
Formula:C23 H20 N2 O5
SMILES:CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4
InChi:InChI=1S/C23H20N2O5/c1-13-15(21(28)20-17(26)9-6-10-18(20)27)11-12-16-19(13)22(29)25(23(30)24(16)2)14-7-4-3-5-8-14/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3
Definition date:2022-03-14
Last modified:2022-05-27
Release date:2022-06-01
Identifier:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
9XU
9XU
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione
Formula:C24 H22 N2 O5
SMILES:CN1C(=O)N(Cc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C24H22N2O5/c1-14-16(22(29)21-18(27)9-6-10-19(21)28)11-12-17-20(14)23(30)26(24(31)25(17)2)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,27H,6,9-10,13H2,1-2H3
Definition date:2022-03-14
Last modified:2022-05-27
Release date:2022-06-01
Identifier:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione
9YI
9YI
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione
Formula:C25 H24 N2 O5
SMILES:CN1C(=O)N(CCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C25H24N2O5/c1-15-17(23(30)22-19(28)9-6-10-20(22)29)11-12-18-21(15)24(31)27(25(32)26(18)2)14-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,28H,6,9-10,13-14H2,1-2H3
Definition date:2022-03-14
Last modified:2022-05-27
Release date:2022-06-01
Identifier:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione
9ZH
9ZH
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione
Formula:C26 H26 N2 O5
SMILES:CN1C(=O)N(CCCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C26H26N2O5/c1-16-18(24(31)23-20(29)11-6-12-21(23)30)13-14-19-22(16)25(32)28(26(33)27(19)2)15-7-10-17-8-4-3-5-9-17/h3-5,8-9,13-14,29H,6-7,10-12,15H2,1-2H3
Definition date:2022-03-14
Last modified:2022-05-27
Release date:2022-06-01
Identifier:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione
9ZO
9ZO
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(4-phenylbutyl)quinazoline-2,4-dione
Formula:C27 H28 N2 O5
SMILES:CN1C(=O)N(CCCCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C27H28N2O5/c1-17-19(25(32)24-21(30)12-8-13-22(24)31)14-15-20-23(17)26(33)29(27(34)28(20)2)16-7-6-11-18-9-4-3-5-10-18/h3-5,9-10,14-15,30H,6-8,11-13,16H2,1-2H3
Definition date:2022-03-14
Last modified:2022-05-27
Release date:2022-06-01
Identifier:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(4-phenylbutyl)quinazoline-2,4-dione
9ZU
9ZU
Name:5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-2-(trifluoromethyl)quinazolin-4-one
Formula:C23 H17 F3 N2 O4
SMILES:Cc1c(ccc2N=C(N(C(=O)c12)c3ccccc3)C(F)(F)F)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C23H17F3N2O4/c1-12-14(20(31)19-16(29)8-5-9-17(19)30)10-11-15-18(12)21(32)28(13-6-3-2-4-7-13)22(27-15)23(24,25)26/h2-4,6-7,10-11,29H,5,8-9H2,1H3
Definition date:2022-03-14
Last modified:2022-05-27
Release date:2022-06-01
Identifier:5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-2-(trifluoromethyl)quinazolin-4-one
A0M
A0M
Name:ethyl 5-methyl-4-oxidanylidene-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2-carboxylate
Formula:C25 H22 N2 O6
SMILES:CCOC(=O)C1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C25H22N2O6/c1-3-33-25(32)23-26-17-13-12-16(22(30)21-18(28)10-7-11-19(21)29)14(2)20(17)24(31)27(23)15-8-5-4-6-9-15/h4-6,8-9,12-13,28H,3,7,10-11H2,1-2H3
Definition date:2022-03-14
Last modified:2022-05-27
Release date:2022-06-01
Identifier:ethyl 5-methyl-4-oxidanylidene-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2-carboxylate
SDW
SDW
Name:2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine
Formula:C17 H14 I N3
SMILES:Ic1ccc(Nc2nc(nc3ccccc23)C4CC4)cc1
InChi:InChI=1S/C17H14IN3/c18-12-7-9-13(10-8-12)19-17-14-3-1-2-4-15(14)20-16(21-17)11-5-6-11/h1-4,7-11H,5-6H2,(H,19,20,21)
Definition date:2020-11-13
Last modified:2022-05-27
Release date:2022-06-01
Identifier:2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine
SEQ
SEQ
Name:~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
Formula:C17 H21 N3
SMILES:C1CCC(CC1)Nc2nc(nc3ccccc23)C4CC4
InChi:InChI=1S/C17H21N3/c1-2-6-13(7-3-1)18-17-14-8-4-5-9-15(14)19-16(20-17)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19,20)
Synonyms:TH10785
Definition date:2020-11-13
Last modified:2022-05-27
Release date:2022-06-01
Identifier:~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
GI5
GI5
Name:3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid
Formula:C24 H24 N2 O6
SMILES:CC(=O)n1cc(C(=O)Nc2cc(CO[CH]3CCCCO3)cc(c2)C(O)=O)c4ccccc14
InChi:InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)/t22-/m0/s1
Definition date:2022-05-10
Last modified:2022-05-27
Release date:2022-06-01
Identifier:3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2~{S})-oxan-2-yl]oxymethyl]benzoic acid
KWL
KWL
Name:1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine
Formula:C19 H22 N6
SMILES:c1nccc(c1CNCc1cc2nccnc2cc1)N1CCNCC1
InChi:InChI=1S/C19H22N6/c1-2-17-18(24-6-5-23-17)11-15(1)12-22-14-16-13-21-4-3-19(16)25-9-7-20-8-10-25/h1-6,11,13,20,22H,7-10,12,14H2
Definition date:2022-02-17
Last modified:2022-05-20
Release date:2022-05-25
Identifier:1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine
KWU
KWU
Name:N-methyl-1-(quinoxalin-6-yl)methanamine
Formula:C10 H11 N3
SMILES:CNCc1cc2nccnc2cc1
InChi:InChI=1S/C10H11N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6,11H,7H2,1H3
Definition date:2022-02-17
Last modified:2022-05-20
Release date:2022-05-25
Identifier:N-methyl-1-(quinoxalin-6-yl)methanamine
KX3
KX3
Name:1-(quinoxalin-6-yl)methanamine
Formula:C9 H9 N3
SMILES:NCc1cc2nccnc2cc1
InChi:InChI=1S/C9H9N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6,10H2
Definition date:2022-02-17
Last modified:2022-05-20
Release date:2022-05-25
Identifier:1-(quinoxalin-6-yl)methanamine
KXC
KXC
Name:6-methylquinoxaline
Formula:C13 H18 N4
SMILES:CN(C)CCNCc1cc2nccnc2cc1
InChi:InChI=1S/C13H18N4/c1-17(2)8-7-14-10-11-3-4-12-13(9-11)16-6-5-15-12/h3-6,9,14H,7-8,10H2,1-2H3
Definition date:2022-02-17
Last modified:2022-05-20
Release date:2022-05-25
Identifier:N~1~,N~1~-dimethyl-N~2~-[(quinoxalin-6-yl)methyl]ethane-1,2-diamine
LBX
LBX
Name:(E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline
Formula:C8 H11 N O5
SMILES:O=C(CCO)C(N=CCC=O)C(=O)O
InChi:InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h3-4,7,11H,1-2,5H2,(H,13,14)/b9-3+/t7-/m0/s1
Definition date:2022-03-01
Last modified:2022-05-20
Release date:2022-05-25
Identifier:(E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline
3DI
3DI
Name:3-(1~{H}-pyrazol-5-yl)aniline
Formula:C9 H9 N3
SMILES:Nc1cccc(c1)c2[nH]ncc2
InChi:InChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12)
Synonyms:3-(1H-pyrazol-5yl)aniline
Definition date:2021-06-24
Last modified:2022-05-20
Release date:2022-05-25
Identifier:3-(1~{H}-pyrazol-5-yl)aniline
ZMS
ZMS
Name:N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
Formula:C62 H76 Cl2 F2 N14 O11 S2
SMILES:CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(c(F)c1)C(=O)NC1CCN(CC1)C(=O)COCCOCCOCC(=O)N1CCC(NC(=O)c2ccc(Nc3nc(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)c(C)cn3)cc2F)CC1
InChi:InChI=1S/C62H76Cl2F2N14O11S2/c1-37-33-67-59(75-55(37)69-43-11-15-47(63)51(31-43)77-92(85,86)61(3,4)5)73-41-9-13-45(49(65)29-41)57(83)71-39-17-21-79(22-18-39)53(81)35-90-27-25-89-26-28-91-36-54(82)80-23-19-40(20-24-80)72-58(84)46-14-10-42(30-50(46)66)74-60-68-34-38(2)56(76-60)70-44-12-16-48(64)52(32-44)78-93(87,88)62(6,7)8/h9-16,29-34,39-40,77-78H,17-28,35-36H2,1-8H3,(H,71,83)(H,72,84)(H2,67,69,73,75)(H2,68,70,74,76)
Definition date:2021-05-10
Last modified:2022-05-13
Release date:2022-05-18
Identifier:N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
ZMV
ZMV
Name:N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
Formula:C66 H84 Cl2 F2 N14 O12 S2
SMILES:CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(c(F)c1)C(=O)NC1CCN(CC1)C(=O)CCOCCOCCOCCOCCC(=O)N1CCC(NC(=O)c2ccc(Nc3nc(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)c(C)cn3)cc2F)CC1
InChi:InChI=1S/C66H84Cl2F2N14O12S2/c1-41-39-71-63(79-59(41)73-47-11-15-51(67)55(37-47)81-97(89,90)65(3,4)5)77-45-9-13-49(53(69)35-45)61(87)75-43-17-23-83(24-18-43)57(85)21-27-93-29-31-95-33-34-96-32-30-94-28-22-58(86)84-25-19-44(20-26-84)76-62(88)50-14-10-46(36-54(50)70)78-64-72-40-42(2)60(80-64)74-48-12-16-52(68)56(38-48)82-98(91,92)66(6,7)8/h9-16,35-40,43-44,81-82H,17-34H2,1-8H3,(H,75,87)(H,76,88)(H2,71,73,77,79)(H2,72,74,78,80)
Definition date:2021-05-10
Last modified:2022-05-13
Release date:2022-05-18
Identifier:N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
KVJ
KVJ
Name:(4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
Formula:C18 H20 F3 N7 O4
SMILES:FC(F)(F)c1nc(N)ncc1c1nc(nc(c1)N1C(=O)OC(C)C1CO)N1CCOCC1
InChi:InChI=1S/C18H20F3N7O4/c1-9-12(8-29)28(17(30)32-9)13-6-11(24-16(25-13)27-2-4-31-5-3-27)10-7-23-15(22)26-14(10)18(19,20)21/h6-7,9,12,29H,2-5,8H2,1H3,(H2,22,23,26)/t9-,12+/m1/s1
Definition date:2022-02-16
Last modified:2022-05-13
Release date:2022-05-18
Identifier:(4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
9IF
9IF
Name:2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
Formula:C25 H20 N2 O7
SMILES:COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc12
InChi:InChI=1S/C25H20N2O7/c1-32-25-20-13-18(11-12-19(20)23(30)22(27-25)24(31)26-14-21(28)29)34-17-9-7-16(8-10-17)33-15-5-3-2-4-6-15/h2-13,30H,14H2,1H3,(H,26,31)(H,28,29)
Definition date:2022-01-18
Last modified:2022-05-13
Release date:2022-05-18
Identifier:2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
9II
9II
Name:2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
Formula:C25 H20 N2 O6
SMILES:COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(cc3)c4ccccc4)cc12
InChi:InChI=1S/C25H20N2O6/c1-32-25-20-13-18(33-17-9-7-16(8-10-17)15-5-3-2-4-6-15)11-12-19(20)23(30)22(27-25)24(31)26-14-21(28)29/h2-13,30H,14H2,1H3,(H,26,31)(H,28,29)
Definition date:2022-01-18
Last modified:2022-05-13
Release date:2022-05-18
Identifier:2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
9IL
9IL
Name:2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
Formula:C28 H24 N2 O7
SMILES:COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4ccccc4)cc12
InChi:InChI=1S/C28H24N2O7/c1-15-11-18(24(33)17-7-5-4-6-8-17)12-16(2)26(15)37-19-9-10-20-21(13-19)28(36-3)30-23(25(20)34)27(35)29-14-22(31)32/h4-13,34H,14H2,1-3H3,(H,29,35)(H,31,32)
Definition date:2022-01-18
Last modified:2022-05-13
Release date:2022-05-18
Identifier:2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
9IQ
9IQ
Name:2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
Formula:C31 H30 N2 O7
SMILES:CCOc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cc(C)cc(C)c4)cc12
InChi:InChI=1S/C31H30N2O7/c1-6-39-31-24-14-22(7-8-23(24)28(37)26(33-31)30(38)32-15-25(34)35)40-29-18(4)12-21(13-19(29)5)27(36)20-10-16(2)9-17(3)11-20/h7-14,37H,6,15H2,1-5H3,(H,32,38)(H,34,35)
Definition date:2022-01-18
Last modified:2022-05-13
Release date:2022-05-18
Identifier:2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

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PDB entries from 2024-09-11

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