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PZ6
PZ6
Name:(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C20 H18 Cl N3 O2
SMILES:Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QT3
QT3
Name:(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Formula:C20 H18 Cl N3 O
SMILES:Clc1ccc2CCN(C)C(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18ClN3O/c1-24-9-8-13-6-7-15(21)10-17(13)19(24)20(25)23-18-12-22-11-14-4-2-3-5-16(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,23,25)/t19-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
R7F
R7F
Name:(4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:C22 H22 Cl N3 O2
SMILES:CC(C)(O)c1cc2c(cc1)cncc2NC(=O)C1CCNc2ccc(Cl)cc21
InChi:InChI=1S/C22H22ClN3O2/c1-22(2,28)14-4-3-13-11-24-12-20(17(13)9-14)26-21(27)16-7-8-25-19-6-5-15(23)10-18(16)19/h3-6,9-12,16,25,28H,7-8H2,1-2H3,(H,26,27)/t16-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
RZU
RZU
Name:1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide
Formula:C26 H23 Cl N4 O3
SMILES:CNC(=O)C1(CC1)N1CC2(CCN(C2=O)c2cncc3ccccc32)c2cc(Cl)ccc2C1=O
InChi:InChI=1S/C26H23ClN4O3/c1-28-23(33)26(8-9-26)31-15-25(20-12-17(27)6-7-19(20)22(31)32)10-11-30(24(25)34)21-14-29-13-16-4-2-3-5-18(16)21/h2-7,12-14H,8-11,15H2,1H3,(H,28,33)/t25-/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)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide
RLH
RLH
Name:2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide
Formula:C23 H24 Cl N3 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cc(OCCN3CCCC3)ccc21
InChi:InChI=1S/C23H24ClN3O2/c24-19-5-3-4-17(12-19)13-23(28)26-22-16-25-15-18-14-20(6-7-21(18)22)29-11-10-27-8-1-2-9-27/h3-7,12,14-16H,1-2,8-11,13H2,(H,26,28)
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide
QTL
QTL
Name:(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Formula:C19 H16 Cl N3 O
SMILES:Clc1ccc2CCNC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H16ClN3O/c20-14-6-5-12-7-8-22-18(16(12)9-14)19(24)23-17-11-21-10-13-3-1-2-4-15(13)17/h1-6,9-11,18,22H,7-8H2,(H,23,24)/t18-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
RLR
RLR
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C23 H21 Cl N4 O2
SMILES:O=C1NCCC1N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C23H21ClN4O2/c24-16-6-5-15-12-28(21-7-8-26-23(21)30)13-19(18(15)9-16)22(29)27-20-11-25-10-14-3-1-2-4-17(14)20/h1-6,9-11,19,21H,7-8,12-13H2,(H,26,30)(H,27,29)/t19-,21-/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-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
OTV
OTV
Name:2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C18 H17 Cl F3 N3 O
SMILES:O=C(Nc1cnccc1C)Cc1cc(NC2CC2C(F)(F)F)cc(Cl)c1
InChi:InChI=1S/C18H17ClF3N3O/c1-10-2-3-23-9-16(10)25-17(26)6-11-4-12(19)7-13(5-11)24-15-8-14(15)18(20,21)22/h2-5,7,9,14-15,24H,6,8H2,1H3,(H,25,26)/t14-,15+/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
NX9
NX9
Name:2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide
Formula:C11 H10 Cl N3 O
SMILES:O=C(Cc1cccc(Cl)c1)Nc1c[NH]nc1
InChi:InChI=1S/C11H10ClN3O/c12-9-3-1-2-8(4-9)5-11(16)15-10-6-13-14-7-10/h1-4,6-7H,5H2,(H,13,14)(H,15,16)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide
R87
R87
Name:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C20 H16 Cl F N2 O3
SMILES:Fc1ccc2c(c1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC
InChi:InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-5-2-13(21)9-16(18)20)19(25)24-17-11-23-10-12-8-14(22)3-4-15(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/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)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
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
RM3
RM3
Name:2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide
Formula:C19 H18 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)N(C)C
InChi:InChI=1S/C19H18ClN3O/c1-23(2)16-6-7-17-14(10-16)11-21-12-18(17)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide
OD7
OD7
Name:2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide
Formula:C26 H28 N6 O2
SMILES:COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c3ccc(cc3)C3CCNCC3)c2c1
InChi:InChI=1S/C26H28N6O2/c1-34-23-9-10-24-25(16-23)32(30-29-24)18-26(33)31(17-21-4-2-3-13-28-21)22-7-5-19(6-8-22)20-11-14-27-15-12-20/h2-10,13,16,20,27H,11-12,14-15,17-18H2,1H3
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide
NJE
NJE
Name:N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide
Formula:C13 H19 N3 O
SMILES:O=C(CN1CCCCC1)Nc1cnccc1C
InChi:InChI=1S/C13H19N3O/c1-11-5-6-14-9-12(11)15-13(17)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,17)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide
R8I
R8I
Name:(4S)-6-chloro-2-{2-[(cyanomethyl)amino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C23 H20 Cl N5 O2
SMILES:N#CCNC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C23H20ClN5O2/c24-17-6-5-16-12-29(14-22(30)27-8-7-25)13-20(19(16)9-17)23(31)28-21-11-26-10-15-3-1-2-4-18(15)21/h1-6,9-11,20H,8,12-14H2,(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-[(cyanomethyl)amino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
OUF
OUF
Name:N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea
Formula:C22 H27 N3 O4
SMILES:O=C1c2ccccc2C(=CN1C)NC(=O)N(CCCOC(C)C)Cc1ccco1
InChi:InChI=1S/C22H27N3O4/c1-16(2)28-13-7-11-25(14-17-8-6-12-29-17)22(27)23-20-15-24(3)21(26)19-10-5-4-9-18(19)20/h4-6,8-10,12,15-16H,7,11,13-14H2,1-3H3,(H,23,27)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea
QU9
QU9
Name:(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C29 H28 Cl N5 O3
SMILES:Clc1ccc2OCCC(CC(=O)N3CCCC3Cn3ccnc3)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C29H28ClN5O3/c30-21-7-8-26-24(14-21)29(9-13-38-26,28(37)33-25-17-32-16-20-4-1-2-6-23(20)25)15-27(36)35-11-3-5-22(35)18-34-12-10-31-19-34/h1-2,4,6-8,10,12,14,16-17,19,22H,3,5,9,11,13,15,18H2,(H,33,37)/t22-,29+/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
S0X
S0X
Name:2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide
Formula:C27 H27 Cl N4 O2
SMILES:Clc1ccc2CN(CC3(CCN(C3=O)c3cncc4ccccc43)c2c1)CC(=O)NCC1CC1
InChi:InChI=1S/C27H27ClN4O2/c28-21-8-7-20-15-31(16-25(33)30-12-18-5-6-18)17-27(23(20)11-21)9-10-32(26(27)34)24-14-29-13-19-3-1-2-4-22(19)24/h1-4,7-8,11,13-14,18H,5-6,9-10,12,15-17H2,(H,30,33)/t27-/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-(cyclopropylmethyl)acetamide
RMI
RMI
Name:2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
Formula:C21 H22 Cl N3 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)OCCN(C)C
InChi:InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-6-7-19-16(12-18)13-23-14-20(19)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
R8O
R8O
Name:(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H23 Cl N4 O2
SMILES:Clc1ccc2CN(CC(c2c1)C(=O)Nc1cncc2ccccc21)CC(=O)NC1CC1
InChi:InChI=1S/C24H23ClN4O2/c25-17-6-5-16-12-29(14-23(30)27-18-7-8-18)13-21(20(16)9-17)24(31)28-22-11-26-10-15-3-1-2-4-19(15)22/h1-6,9-11,18,21H,7-8,12-14H2,(H,27,30)(H,28,31)/t21-/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)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
LJ0
LJ0
Name:(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
Formula:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C1C2CCCCC21
InChi:InChI=1S/C14H18N2O/c1-9-6-7-15-8-12(9)16-14(17)13-10-4-2-3-5-11(10)13/h6-8,10-11,13H,2-5H2,1H3,(H,16,17)/t10-,11+,13+
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
NJU
NJU
Name:2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide
Formula:C17 H17 Cl N2 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2CCCCc21
InChi:InChI=1S/C17H17ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h3-4,6,8,10-11H,1-2,5,7,9H2,(H,20,21)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide
KQX
KQX
Name:2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C15 H16 N2 O
SMILES:O=C(Nc1cnccc1C)Cc1ccc(C)cc1
InChi:InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)9-15(18)17-14-10-16-8-7-12(14)2/h3-8,10H,9H2,1-2H3,(H,17,18)
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide
ODX
ODX
Name:2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C19 H22 Cl N3 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(NC2CCCC2O)cc(Cl)c1
InChi:InChI=1S/C19H22ClN3O2/c1-12-5-6-21-11-17(12)23-19(25)9-13-7-14(20)10-15(8-13)22-16-3-2-4-18(16)24/h5-8,10-11,16,18,22,24H,2-4,9H2,1H3,(H,23,25)/t16-,18-/m0/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
QUQ
QUQ
Name:(4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C21 H18 Cl N3 O2
SMILES:CC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C21H18ClN3O2/c1-13(26)25-11-15-6-7-16(22)8-18(15)19(12-25)21(27)24-20-10-23-9-14-4-2-3-5-17(14)20/h2-10,19H,11-12H2,1H3,(H,24,27)/t19-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

243083

PDB entries from 2025-10-15

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