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KFU
KFU
Name:(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:C18 H13 Cl N2 O2
SMILES:Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1
Definition date:2023-08-11
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
KG9
KG9
Name:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H21 Cl N4 O3 S
SMILES:N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1
Definition date:2023-08-11
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
KJI
KJI
Name:N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide
Formula:C17 H16 N4 O
SMILES:O=C(Nc1cnccc1C)CNc1ccnc2ccccc21
InChi:InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide
KL6
KL6
Name:1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
Formula:C12 H19 N3 O4 S2
SMILES:NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1
InChi:InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19)
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
KLR
KLR
Name:(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
Formula:C20 H24 N4 O
SMILES:CC(C)(C)NC(=O)C(Nc1ccc(CCC#N)cc1)c1cccnc1
InChi:InChI=1S/C20H24N4O/c1-20(2,3)24-19(25)18(16-7-5-13-22-14-16)23-17-10-8-15(9-11-17)6-4-12-21/h5,7-11,13-14,18,23H,4,6H2,1-3H3,(H,24,25)/t18-/m0/s1
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
KQ3
KQ3
Name:N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
Formula:C18 H21 Cl N4 O2
SMILES:Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1
InChi:InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24)
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
MX5
MX5
Name:{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
Formula:C15 H19 N3 O4
SMILES:O=C(O)CN(N)C(=O)CCC(=O)N2c1ccccc1CCC2
InChi:InChI=1S/C15H19N3O4/c16-18(10-15(21)22)14(20)8-7-13(19)17-9-3-5-11-4-1-2-6-12(11)17/h1-2,4,6H,3,5,7-10,16H2,(H,21,22)
Synonyms:{N-[(E)-4-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-4-OXO-BUT-2-ENOYL]-HYDRAZINO}-ACETIC ACID
Definition date:2005-10-02
Last modified:2023-11-03
Identifier:{1-[4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobutanoyl]hydrazino}acetic acid
N3R
N3R
Name:5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:C19 H17 F N2 O4
SMILES:COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(F)c21
InChi:InChI=1S/C19H17FN2O4/c1-25-15-7-2-3-8-16(15)26-10-9-21-19(24)12-11-17(23)22-14-6-4-5-13(20)18(12)14/h2-8,11H,9-10H2,1H3,(H,21,24)(H,22,23)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
N43
N43
Name:5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:C20 H20 N2 O5
SMILES:COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(OC)c12
InChi:InChI=1S/C20H20N2O5/c1-25-15-7-3-4-8-16(15)27-11-10-21-20(24)13-12-18(23)22-14-6-5-9-17(26-2)19(13)14/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
N4L
N4L
Name:N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:C20 H20 N2 O4
SMILES:COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(C)c21
InChi:InChI=1S/C20H20N2O4/c1-13-6-5-7-15-19(13)14(12-18(23)22-15)20(24)21-10-11-26-17-9-4-3-8-16(17)25-2/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
ROZ
ROZ
Name:4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide
Formula:C18 H14 Cl N3 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(N)=O
InChi:InChI=1S/C18H14ClN3O2/c19-14-3-1-2-11(6-14)7-17(23)22-16-10-21-9-13-5-4-12(18(20)24)8-15(13)16/h1-6,8-10H,7H2,(H2,20,24)(H,22,23)
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide
RPK
RPK
Name:N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
Formula:C19 H16 Cl N3 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)NC(C)=O
InChi:InChI=1S/C19H16ClN3O2/c1-12(24)22-16-6-5-14-10-21-11-18(17(14)9-16)23-19(25)8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,24)(H,23,25)
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
RPZ
RPZ
Name:2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
Formula:C24 H23 Cl N4 O2
SMILES:CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1
InChi:InChI=1S/C24H23ClN4O2/c1-26-22(30)14-28-13-17-6-7-18(25)10-20(17)24(15-28)8-9-29(23(24)31)21-12-27-11-16-4-2-3-5-19(16)21/h2-7,10-12H,8-9,13-15H2,1H3,(H,26,30)/t24-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
RQ6
RQ6
Name:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C22 H18 Cl F N4 O3
SMILES:Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21
InChi:InChI=1S/C22H18ClFN4O3/c1-25-20(29)11-28-10-18(17-7-13(23)2-4-16(17)22(28)31)21(30)27-19-9-26-8-12-6-14(24)3-5-15(12)19/h2-9,18H,10-11H2,1H3,(H,25,29)(H,27,30)/t18-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
RQF
RQF
Name:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H22 Cl F N4 O3
SMILES:Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NCCC)C(=O)c2ccc(Cl)cc21
InChi:InChI=1S/C24H22ClFN4O3/c1-2-7-28-22(31)13-30-12-20(19-9-15(25)3-5-18(19)24(30)33)23(32)29-21-11-27-10-14-8-16(26)4-6-17(14)21/h3-6,8-11,20H,2,7,12-13H2,1H3,(H,28,31)(H,29,32)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
RQO
RQO
Name:4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide
Formula:C20 H18 Cl N3 O2
SMILES:CN(C)C(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChi:InChI=1S/C20H18ClN3O2/c1-24(2)20(26)14-6-7-15-11-22-12-18(17(15)10-14)23-19(25)9-13-4-3-5-16(21)8-13/h3-8,10-12H,9H2,1-2H3,(H,23,25)
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide
RR0
RR0
Name:(2r,4r)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2,3-dihydro-4H-2,4-methano-1-benzopyran-4-carboxamide
Formula:C20 H14 Cl F N2 O2
SMILES:Fc1ccc2c(c1)cncc2NC(=O)C12CC(C1)Oc1ccc(Cl)cc12
InChi:InChI=1S/C20H14ClFN2O2/c21-12-1-4-18-16(6-12)20(7-14(8-20)26-18)19(25)24-17-10-23-9-11-5-13(22)2-3-15(11)17/h1-6,9-10,14H,7-8H2,(H,24,25)/t14-,20-
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2r,4r)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2,3-dihydro-4H-2,4-methano-1-benzopyran-4-carboxamide
RRD
RRD
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H21 Cl N4 O4
SMILES:O=C(CN1CC(C(=O)Nc2cncc3ccccc32)c2cc(Cl)ccc2C1=O)NC1COC1
InChi:InChI=1S/C24H21ClN4O4/c25-15-5-6-18-19(7-15)20(10-29(24(18)32)11-22(30)27-16-12-33-13-16)23(31)28-21-9-26-8-14-3-1-2-4-17(14)21/h1-9,16,20H,10-13H2,(H,27,30)(H,28,31)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
RRU
RRU
Name:1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:C26 H23 Cl N4 O3 S
SMILES:N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1
InChi:InChI=1S/C26H23ClN4O3S/c27-20-6-5-19-14-30(35(33,34)17-25(15-28)7-8-25)16-26(22(19)11-20)9-10-31(24(26)32)23-13-29-12-18-3-1-2-4-21(18)23/h1-6,11-13H,7-10,14,16-17H2/t26-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
RS6
RS6
Name:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H22 Cl F N4 O3
SMILES:Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC(C)C)C(=O)c2ccc(Cl)cc21
InChi:InChI=1S/C24H22ClFN4O3/c1-13(2)28-22(31)12-30-11-20(19-8-15(25)3-5-18(19)24(30)33)23(32)29-21-10-27-9-14-7-16(26)4-6-17(14)21/h3-10,13,20H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
RSL
RSL
Name:4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate
Formula:C18 H15 Cl N2 O4 S
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)OS(C)(=O)=O
InChi:InChI=1S/C18H15ClN2O4S/c1-26(23,24)25-15-5-6-16-13(9-15)10-20-11-17(16)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate
RT4
RT4
Name:(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H21 Cl N4 O3
SMILES:Clc1ccc2C(=O)N(CC(c2c1)C(=O)Nc1cncc2ccccc21)CC(=O)NC1CC1
InChi:InChI=1S/C24H21ClN4O3/c25-15-5-8-18-19(9-15)20(12-29(24(18)32)13-22(30)27-16-6-7-16)23(31)28-21-11-26-10-14-3-1-2-4-17(14)21/h1-5,8-11,16,20H,6-7,12-13H2,(H,27,30)(H,28,31)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
RT9
RT9
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H22 Cl N3 O5 S
SMILES:COC1(CC1)CS(=O)(=O)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C24H22ClN3O5S/c1-33-24(8-9-24)14-34(31,32)28-13-20(19-10-16(25)6-7-18(19)23(28)30)22(29)27-21-12-26-11-15-4-2-3-5-17(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,27,29)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
RTS
RTS
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
Formula:C22 H21 Cl N4 O4 S
SMILES:CNC(=O)CN1CC(C)(c2cc(Cl)ccc2S1(=O)=O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H21ClN4O4S/c1-22(21(29)26-18-11-25-10-14-5-3-4-6-16(14)18)13-27(12-20(28)24-2)32(30,31)19-8-7-15(23)9-17(19)22/h3-11H,12-13H2,1-2H3,(H,24,28)(H,26,29)/t22-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
RV0
RV0
Name:(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
Formula:C20 H18 Cl N3 O3 S
SMILES:Clc1ccc2c(c1)C(CNS2(=O)=O)(CC)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18ClN3O3S/c1-2-20(12-23-28(26,27)18-8-7-14(21)9-16(18)20)19(25)24-17-11-22-10-13-5-3-4-6-15(13)17/h3-11,23H,2,12H2,1H3,(H,24,25)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide

225158

PDB entries from 2024-09-18

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