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QDD
QDD
Name:2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid
Formula:C12 H10 N2 O3
SMILES:Nc1cccc2c(CC(O)=O)cc(C=O)nc12
InChi:InChI=1S/C12H10N2O3/c13-10-3-1-2-9-7(5-11(16)17)4-8(6-15)14-12(9)10/h1-4,6H,5,13H2,(H,16,17)
Definition date:2018-10-24
Last modified:2019-09-13
Release date:2019-09-18
Identifier:2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid
JEE
JEE
Name:5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula:C24 H24 N6 O
SMILES:Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCOCC5)cc4)c3c2)c1C#N
InChi:InChI=1S/C24H24N6O/c25-14-21-23(27-28-24(21)26)20-6-5-19-7-8-30(22(19)13-20)16-18-3-1-17(2-4-18)15-29-9-11-31-12-10-29/h1-8,13H,9-12,15-16H2,(H3,26,27,28)
Definition date:2019-02-19
Last modified:2019-09-13
Release date:2019-09-18
Identifier:5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
G5T
G5T
Name:3-(6-morpholin-4-ylpyridin-2-yl)phenol
Formula:C15 H16 N2 O2
SMILES:Oc1cccc(c1)c2cccc(n2)N3CCOCC3
InChi:InChI=1S/C15H16N2O2/c18-13-4-1-3-12(11-13)14-5-2-6-15(16-14)17-7-9-19-10-8-17/h1-6,11,18H,7-10H2
Definition date:2018-08-29
Last modified:2019-09-06
Release date:2019-09-11
Identifier:3-(6-morpholin-4-ylpyridin-2-yl)phenol
N8P
N8P
Name:N-ACETYL-D-PROLINE
Formula:C7 H11 N O3
SMILES:O=C(N1C(C(=O)O)CCC1)C
InChi:InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1
Definition date:2012-06-22
Last modified:2019-09-05
Release date:2013-07-10
Identifier:1-acetyl-D-proline
8UB
8UB
Name:3-(2-thiophen-2-ylethenyl)-1~{H}-quinoxalin-2-one
Formula:C14 H10 N2 O S
SMILES:O=C1Nc2ccccc2N=C1C=Cc3sccc3
InChi:InChI=1S/C14H10N2OS/c17-14-13(8-7-10-4-3-9-18-10)15-11-5-1-2-6-12(11)16-14/h1-9H,(H,16,17)
Definition date:2017-03-09
Last modified:2019-09-04
Release date:2018-05-16
Identifier:3-(2-thiophen-2-ylethenyl)-1~{H}-quinoxalin-2-one
NRS
NRS
Name:N-methyl-N-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
Formula:C19 H15 N3 O4 S
SMILES:O=S(c1ccc2c(c1)NC(C(N2)=O)=O)(N(C)c3ccc4c(c3)cccc4)=O
InChi:InChI=1S/C19H15N3O4S/c1-22(14-7-6-12-4-2-3-5-13(12)10-14)27(25,26)15-8-9-16-17(11-15)21-19(24)18(23)20-16/h2-11H,1H3,(H,20,23)(H,21,24)
Definition date:2019-05-28
Last modified:2019-08-30
Release date:2019-09-04
Identifier:N-methyl-N-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
K81
K81
Name:N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide
Formula:C25 H25 F3 N4 O4
SMILES:c1(nc(OCCO)cc(c1)c2c(ccc(c2)NC(c3ccnc(c3)C(F)(F)F)=O)C)N4CCOCC4
InChi:InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)
Definition date:2018-11-08
Last modified:2019-08-30
Release date:2019-09-04
Identifier:N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide
P5V
P5V
Name:(3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
Formula:C23 H20 N4 O2
SMILES:C2(=O)Nc1ccc(cc1C24CCCN4C(=O)C3CC3)c5cc6c(cc5)nccn6
InChi:InChI=1S/C23H20N4O2/c28-21(14-2-3-14)27-11-1-8-23(27)17-12-15(4-6-18(17)26-22(23)29)16-5-7-19-20(13-16)25-10-9-24-19/h4-7,9-10,12-14H,1-3,8,11H2,(H,26,29)/t23-/m0/s1
Definition date:2019-07-31
Last modified:2019-08-23
Release date:2019-08-28
Identifier:(3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
O3V
O3V
Name:3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Formula:C22 H19 N3 O2 S
SMILES:c31nc5c(c(c1c(n(c2ccccc2)n3)O)c4cccs4)C(CC(C)(C5)C)=O
InChi:InChI=1S/C22H19N3O2S/c1-22(2)11-14-17(15(26)12-22)18(16-9-6-10-28-16)19-20(23-14)24-25(21(19)27)13-7-4-3-5-8-13/h3-10,27H,11-12H2,1-2H3
Definition date:2019-06-07
Last modified:2019-08-23
Release date:2019-08-28
Identifier:3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one
O3Y
O3Y
Name:4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Formula:C24 H20 Cl N3 O2
SMILES:c24nc1CC(C)(C)CC(c1c(c2c(n(c3ccccc3)n4)O)c5c(Cl)cccc5)=O
InChi:InChI=1S/C24H20ClN3O2/c1-24(2)12-17-20(18(29)13-24)19(15-10-6-7-11-16(15)25)21-22(26-17)27-28(23(21)30)14-8-4-3-5-9-14/h3-11,30H,12-13H2,1-2H3
Definition date:2019-06-07
Last modified:2019-08-23
Release date:2019-08-28
Identifier:4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one
O4D
O4D
Name:2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide
Formula:C21 H28 N6 O2
SMILES:c2(c3c(n(CC(NCCCN1CCOCC1)=O)n2)nc(cc3C)C)n4cccc4
InChi:InChI=1S/C21H28N6O2/c1-16-14-17(2)23-20-19(16)21(26-8-3-4-9-26)24-27(20)15-18(28)22-6-5-7-25-10-12-29-13-11-25/h3-4,8-9,14H,5-7,10-13,15H2,1-2H3,(H,22,28)
Definition date:2019-06-07
Last modified:2019-08-23
Release date:2019-08-28
Identifier:2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide
O4S
O4S
Name:N-[(4-ethylphenyl)methyl]-2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
Formula:C28 H34 N4 O3
SMILES:C2(N(c1cc(ccc1N3CCCCC23)C(N4CCCC4)=O)CC(NCc5ccc(CC)cc5)=O)=O
InChi:InChI=1S/C28H34N4O3/c1-2-20-8-10-21(11-9-20)18-29-26(33)19-32-25-17-22(27(34)30-14-5-6-15-30)12-13-23(25)31-16-4-3-7-24(31)28(32)35/h8-13,17,24H,2-7,14-16,18-19H2,1H3,(H,29,33)/t24-/m1/s1
Definition date:2019-06-07
Last modified:2019-08-23
Release date:2019-08-28
Identifier:N-[(4-ethylphenyl)methyl]-2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
O5S
O5S
Name:2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide
Formula:C31 H35 Cl N4 O4
SMILES:CCC(N6CC(NC(=O)Cn1c5c(c(c1C2CC2)C(N4CCc3c(OC)cccc3C4)=O)cc(Cl)cc5C)C6)=O
InChi:InChI=1S/C31H35ClN4O4/c1-4-27(38)35-15-22(16-35)33-26(37)17-36-29-18(2)12-21(32)13-24(29)28(30(36)19-8-9-19)31(39)34-11-10-23-20(14-34)6-5-7-25(23)40-3/h5-7,12-13,19,22H,4,8-11,14-17H2,1-3H3,(H,33,37)
Definition date:2019-06-12
Last modified:2019-08-23
Release date:2019-08-28
Identifier:2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide
O5Y
O5Y
Name:2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide
Formula:C27 H29 Br N4 O4
SMILES:CCC(N5CC(NC(=O)Cn3cc(C(=O)N1Cc2c(CC1)c(ccc2)OC)c4cc(Br)ccc34)C5)=O
InChi:InChI=1S/C27H29BrN4O4/c1-3-26(34)32-13-19(14-32)29-25(33)16-31-15-22(21-11-18(28)7-8-23(21)31)27(35)30-10-9-20-17(12-30)5-4-6-24(20)36-2/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3,(H,29,33)
Definition date:2019-06-12
Last modified:2019-08-23
Release date:2019-08-28
Identifier:2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide
G0H
G0H
Name:4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:C28 H20 F3 N5 O
SMILES:Cc1ccc(cc1Nc2nc(nc3ccccc23)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:InChI=1S/C28H20F3N5O/c1-17-11-12-18(27(37)33-21-8-4-7-20(15-21)28(29,30)31)14-24(17)35-26-22-9-2-3-10-23(22)34-25(36-26)19-6-5-13-32-16-19/h2-16H,1H3,(H,33,37)(H,34,35,36)
Definition date:2018-08-21
Last modified:2019-08-23
Release date:2019-08-28
Identifier:4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide
O1D
O1D
Name:3-(benzyloxy)aniline
Formula:C13 H13 N O
SMILES:c2(OCc1ccccc1)cc(N)ccc2
InChi:InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2
Definition date:2019-06-04
Last modified:2019-08-16
Release date:2019-08-21
Identifier:3-(benzyloxy)aniline
O2J
O2J
Name:(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
Formula:C11 H16 N2 O2
SMILES:N2(c1ccccn1)CCOC(C2)COC
InChi:InChI=1S/C11H16N2O2/c1-14-9-10-8-13(6-7-15-10)11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3/t10-/m1/s1
Definition date:2019-06-05
Last modified:2019-08-16
Release date:2019-08-21
Identifier:(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
O3M
O3M
Name:4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol
Formula:C16 H17 N O
SMILES:C(N1CCc2c(C1)cccc2)c3ccc(cc3)O
InChi:InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2
Definition date:2019-06-06
Last modified:2019-08-16
Release date:2019-08-21
Identifier:4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol
J7S
J7S
Name:4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:C16 H12 Cl N5 O2
SMILES:O=C1CN(c2c(N1)cc(OC)cc2)c4c3c(nccc3)nc(n4)Cl
InChi:InChI=1S/C16H12ClN5O2/c1-24-9-4-5-12-11(7-9)19-13(23)8-22(12)15-10-3-2-6-18-14(10)20-16(17)21-15/h2-7H,8H2,1H3,(H,19,23)
Definition date:2018-08-20
Last modified:2019-08-16
Release date:2019-08-21
Identifier:4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
SYT
SYT
Name:(5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium
Formula:C20 H20 N O4
SMILES:C[N+]34Cc2c1c(OCO1)ccc2CC3c5c(CC4)cc6c(c5)OCO6
InChi:InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1
Definition date:2019-05-29
Last modified:2019-08-09
Release date:2019-08-14
Identifier:(5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium
A8U
A8U
Name:propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
Formula:C28 H32 N4 O3
SMILES:CCCOC(=O)N1CCN(C[CH]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(N)CC5
InChi:InChI=1S/C28H32N4O3/c1-3-16-35-27(34)32-15-14-31(18-19(32)2)26(33)22-5-4-21-8-11-24(30-25(21)17-22)20-6-9-23(10-7-20)28(29)12-13-28/h4-11,17,19H,3,12-16,18,29H2,1-2H3/t19-/m1/s1
Definition date:2018-10-20
Last modified:2019-08-09
Release date:2019-08-14
Identifier:propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
D6X
D6X
Name:N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
Formula:C18 H18 N6
SMILES:Cc1cc(C)n2nc(CCNc3ccc4ccccc4n3)nc2n1
InChi:InChI=1S/C18H18N6/c1-12-11-13(2)24-18(20-12)22-17(23-24)9-10-19-16-8-7-14-5-3-4-6-15(14)21-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)
Definition date:2019-07-12
Last modified:2019-08-09
Release date:2019-08-14
Identifier:~{N}-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
JKN
JKN
Name:6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one
Formula:C17 H14 F2 N2 O2
SMILES:CC(C)(O)c1ccc(cc1)C2=Nc3c(F)cc(F)cc3C(=O)N2
InChi:InChI=1S/C17H14F2N2O2/c1-17(2,23)10-5-3-9(4-6-10)15-20-14-12(16(22)21-15)7-11(18)8-13(14)19/h3-8,23H,1-2H3,(H,20,21,22)
Definition date:2019-03-08
Last modified:2019-08-09
Release date:2019-08-14
Identifier:6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one
NSJ
NSJ
Name:3-[(thiomorpholin-4-yl)methyl]phenol
Formula:C11 H15 N O S
SMILES:N1(CCSCC1)Cc2cccc(c2)O
InChi:InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2
Definition date:2019-05-28
Last modified:2019-08-02
Release date:2019-08-07
Identifier:3-[(thiomorpholin-4-yl)methyl]phenol
NT7
NT7
Name:N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
Formula:C14 H20 N2 O2
SMILES:N(C(=O)CN1CCOCC1)c2cccc(c2C)C
InChi:InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)
Definition date:2019-05-28
Last modified:2019-08-02
Release date:2019-08-07
Identifier:N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide

223532

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