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RL8
RL8
表記:4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide
組成式:C19 H16 Cl N3 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(=O)NC
InChi:InChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-14-10-22-11-17(16(14)9-13)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide
N43
N43
表記:5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式: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)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
RZU
RZU
表記: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
組成式: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
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）: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
QSX
QSX
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C27 H27 Cl N4 O3
SMILES:CN1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C27H27ClN4O3/c1-31-15-20-11-19(31)16-32(20)25(33)12-27(8-9-35-24-7-6-18(28)10-22(24)27)26(34)30-23-14-29-13-17-4-2-3-5-21(17)23/h2-7,10,13-14,19-20H,8-9,11-12,15-16H2,1H3,(H,30,34)/t19-,20-,27-/m0/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
RLH
RLH
表記:2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide
組成式: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)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide
ORR
ORR
表記:1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one
組成式:C16 H16 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)N1CCCc2c1cncc2N
InChi:InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-6-2-5-13-14(18)9-19-10-15(13)20/h1,3-4,7,9-10H,2,5-6,8,18H2
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one
VO8
VO8
表記:5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile
組成式:C29 H23 N3 O4
SMILES:N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1c2ccccc2N(C(=O)CC)C1=O
InChi:InChI=1S/C29H23N3O4/c1-2-28(33)32-24-10-4-3-9-23(24)31(29(32)34)16-17-35-26-11-5-6-12-27(26)36-25-13-7-8-21-18-20(19-30)14-15-22(21)25/h3-15,18H,2,16-17H2,1H3
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:5-{2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
OCI
OCI
表記:2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C14 H15 Cl N4 O3 S
SMILES:O=C(Nc1cnccc1C)Cc1cc(NS(N)(=O)=O)cc(Cl)c1
InChi:InChI=1S/C14H15ClN4O3S/c1-9-2-3-17-8-13(9)18-14(20)6-10-4-11(15)7-12(5-10)19-23(16,21)22/h2-5,7-8,19H,6H2,1H3,(H,18,20)(H2,16,21,22)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide
QT3
QT3
表記:(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
組成式: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
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
RLR
RLR
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式: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
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N4L
N4L
表記:N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式: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)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
VOI
VOI
表記:3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
組成式:C20 H19 N3 O3
SMILES:CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
QTC
QTC
表記:2-(3-chloro-5-ethylphenyl)-N-(isoquinolin-4-yl)acetamide
組成式:C19 H17 Cl N2 O
SMILES:CCc1cc(cc(Cl)c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H17ClN2O/c1-2-13-7-14(9-16(20)8-13)10-19(23)22-18-12-21-11-15-5-3-4-6-17(15)18/h3-9,11-12H,2,10H2,1H3,(H,22,23)
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chloro-5-ethylphenyl)-N-(isoquinolin-4-yl)acetamide
RM3
RM3
表記:2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide
組成式: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)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide
VOU
VOU
表記:(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
組成式:C22 H21 N3 O3
SMILES:O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1
InChi:InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
QTL
QTL
表記:(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
組成式: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
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
OSI
OSI
表記:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H17 Cl N2 O2
SMILES:Clc1ccc2OCCC(C)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m1/s1
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OD7
OD7
表記:2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide
組成式: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
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide
VP2
VP2
表記:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
組成式:C20 H17 F2 N3 O3
SMILES:FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26)
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
S0X
S0X
表記:2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide
組成式: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
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）: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
表記:2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
組成式: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)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
VAL
VAL
表記:VALINE
組成式:C5 H11 N O2
SMILES:O=C(O)C(N)C(C)C
InChi:InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:L-valine
VPB
VPB
表記:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
組成式:C22 H21 N3 O4
SMILES:O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1
InChi:InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
N5L
N5L
表記:N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
組成式:C14 H14 Cl N3 O
SMILES:O=C(Nc1cncc(N)c1C)Cc1cccc(Cl)c1
InChi:InChI=1S/C14H14ClN3O/c1-9-12(16)7-17-8-13(9)18-14(19)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6,16H2,1H3,(H,18,19)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
LJ0
LJ0
表記:(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
組成式: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+
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide

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