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75F

75F
Name:	(4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Formula:	C20 H23 N3 O
SMILES:	CCC2(C1C(CC(CC1=Nc3nncc23)(C)C)=O)c4ccccc4
InChi:	InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12,17H,4,10-11H2,1-3H3,(H,21,23)/t17-,20-/m0/s1
Definition date:	2016-08-26
Last modified:	2019-05-08
Release date:	2018-02-21
Identifier:	(4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one

KHY

KHY
Name:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
Formula:	C29 H28 Cl F6 N5 O2
SMILES:	c32c(c(CN1CCC(CC1)C(F)(F)F)c(nc2ccc(c3)C(c4cnc(C)n4C)(O)c5ccnc(c5)C(F)(F)F)OC)Cl
InChi:	InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1
Definition date:	2018-12-10
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol

M3D

M3D
Name:	7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
Formula:	C28 H25 N3 O4
SMILES:	C2=C(C(=O)NCCN1CCOCC1)c4ccc(cc4Oc3c2cccc3)c5ccc(O)c(C#N)c5
InChi:	InChI=1S/C28H25N3O4/c29-18-22-15-19(6-8-25(22)32)20-5-7-23-24(28(33)30-9-10-31-11-13-34-14-12-31)16-21-3-1-2-4-26(21)35-27(23)17-20/h1-8,15-17,32H,9-14H2,(H,30,33)
Definition date:	2019-03-20
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide

JV8

JV8
Name:	~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide
Formula:	C18 H16 N2 O2
SMILES:	Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
InChi:	InChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21)
Definition date:	2019-04-02
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide

E1J

E1J
Name:	N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide
Formula:	C21 H30 N6 O3
SMILES:	c21c(cc(c(c1)OCCN)OC)c(NCCCNC([C@H]=C)=O)nc(n2)N3CCCC3
InChi:	InChI=1S/C21H30N6O3/c1-3-19(28)23-8-6-9-24-20-15-13-17(29-2)18(30-12-7-22)14-16(15)25-21(26-20)27-10-4-5-11-27/h3,13-14H,1,4-12,22H2,2H3,(H,23,28)(H,24,25,26)
Definition date:	2017-11-22
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide

HZK

HZK
Name:	(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide
Formula:	C21 H19 Cl F N3 O4
SMILES:	O[C]1(CCN(C1=O)c2ccc3NC(=O)CCc3c2)C(=O)NCc4cc(F)cc(Cl)c4
InChi:	InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
Definition date:	2019-01-08
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide

FWG

FWG
Name:	cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
Formula:	C21 H27 N3 O3 S
SMILES:	C1CN(CCN1C(=O)C2CCCCCC2)S(=O)(=O)c4c3ccncc3ccc4
InChi:	InChI=1S/C21H27N3O3S/c25-21(17-6-3-1-2-4-7-17)23-12-14-24(15-13-23)28(26,27)20-9-5-8-18-16-22-11-10-19(18)20/h5,8-11,16-17H,1-4,6-7,12-15H2
Definition date:	2018-04-23
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone

FWJ

FWJ
Name:	2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C21 H20 F N3 O3 S
SMILES:	C1CN(CCN1C(Cc2ccc(F)cc2)=O)S(c4c3ccncc3ccc4)(=O)=O
InChi:	InChI=1S/C21H20FN3O3S/c22-18-6-4-16(5-7-18)14-21(26)24-10-12-25(13-11-24)29(27,28)20-3-1-2-17-15-23-9-8-19(17)20/h1-9,15H,10-14H2
Definition date:	2018-04-23
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one

FWM

FWM
Name:	2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C21 H27 N3 O3 S
SMILES:	C1CN(CCN1C(=O)CC2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4
InChi:	InChI=1S/C21H27N3O3S/c25-21(15-17-5-2-1-3-6-17)23-11-13-24(14-12-23)28(26,27)20-8-4-7-18-16-22-10-9-19(18)20/h4,7-10,16-17H,1-3,5-6,11-15H2
Definition date:	2018-04-23
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one

FWP

FWP
Name:	2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C23 H25 N3 O5 S
SMILES:	C1CN(CCN1C(Cc2c(cc(OC)cc2)OC)=O)S(=O)(=O)c4c3ccncc3ccc4
InChi:	InChI=1S/C23H25N3O5S/c1-30-19-7-6-17(21(15-19)31-2)14-23(27)25-10-12-26(13-11-25)32(28,29)22-5-3-4-18-16-24-9-8-20(18)22/h3-9,15-16H,10-14H2,1-2H3
Definition date:	2018-04-23
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one

FWS

FWS
Name:	(2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide
Formula:	C22 H22 N4 O5 S
SMILES:	c15OCOc1ccc(NC(N2C(C)CN(CC2)S(c4c3ccncc3ccc4)(=O)=O)=O)c5
InChi:	InChI=1S/C22H22N4O5S/c1-15-13-25(32(28,29)21-4-2-3-16-12-23-8-7-18(16)21)9-10-26(15)22(27)24-17-5-6-19-20(11-17)31-14-30-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,27)/t15-/m0/s1
Definition date:	2018-04-23
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	(2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide

FWV

FWV
Name:	N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
Formula:	C20 H18 Cl2 N4 O3 S
SMILES:	C(=O)(Nc1cccc(Cl)c1Cl)N2CCN(CC2)S(c4c3ccncc3ccc4)(=O)=O
InChi:	InChI=1S/C20H18Cl2N4O3S/c21-16-4-2-5-17(19(16)22)24-20(27)25-9-11-26(12-10-25)30(28,29)18-6-1-3-14-13-23-8-7-15(14)18/h1-8,13H,9-12H2,(H,24,27)
Definition date:	2018-04-23
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide

FWY

FWY
Name:	hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
Formula:	C20 H19 N4 O5 S
SMILES:	C(N1CCN(CC1)S(c2cccc3c2ccnc3)(=O)=O)(c4cccc([N+](O)=O)c4)=O
InChi:	InChI=1S/C20H19N4O5S/c25-20(15-3-1-5-17(13-15)24(26)27)22-9-11-23(12-10-22)30(28,29)19-6-2-4-16-14-21-8-7-18(16)19/h1-8,13-14H,9-12H2,(H,26,27)/q+1
Definition date:	2018-04-23
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium

HZQ

HZQ
Name:	5-chloranylquinolin-8-ol
Formula:	C9 H6 Cl N O
SMILES:	Oc1ccc(Cl)c2cccnc12
InChi:	InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
Definition date:	2019-01-08
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	5-chloranylquinolin-8-ol

J3Y

J3Y
Name:	[6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
Formula:	C23 H24 F N7 O2
SMILES:	c1(nc3c(cc1)c(cn3c2cc(C)nn2)C(N4CCOCC4)=O)NC(C)c5ncc(cc5)F
InChi:	InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1
Definition date:	2018-08-08
Last modified:	2019-04-26
Release date:	2019-05-01
Identifier:	[6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone

KU1

KU1
Name:	N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine
Formula:	C11 H9 N3 O4
SMILES:	C(=O)(O)CNC(=O)C=2C(c1ccccc1NN=2)=O
InChi:	InChI=1S/C11H9N3O4/c15-8(16)5-12-11(18)9-10(17)6-3-1-2-4-7(6)13-14-9/h1-4H,5H2,(H,12,18)(H,13,17)(H,15,16)
Definition date:	2019-01-14
Last modified:	2019-04-19
Release date:	2019-04-24
Identifier:	N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine

04U

04U
Name:	azanylidene-[(3S,5S)-5-carboxypyrrolidin-3-yl]imino-azanium
Formula:	C5 H9 N4 O2
SMILES:	O=C(O)C1NCC(/N=[N+]=[N@H])C1
InChi:	InChI=1S/C5H8N4O2/c6-9-8-3-1-4(5(10)11)7-2-3/h3-4,6-7H,1-2H2/p+1/t3-,4-/m0/s1
Definition date:	2012-10-02
Last modified:	2019-04-14
Release date:	2013-03-13
Identifier:	(4S)-4-triaza-1,2-dien-2-ium-1-yl-L-proline

T6Z

T6Z
Name:	[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Formula:	C11 H12 N O4 P
SMILES:	CN2C(C=C(CP(O)(=O)O)c1ccccc12)=O
InChi:	InChI=1S/C11H12NO4P/c1-12-10-5-3-2-4-9(10)8(6-11(12)13)7-17(14,15)16/h2-6H,7H2,1H3,(H2,14,15,16)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid

KED

KED
Name:	[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Formula:	C10 H10 N O4 P
SMILES:	C2(=O)C=C(CP(=O)(O)O)c1ccccc1N2
InChi:	InChI=1S/C10H10NO4P/c12-10-5-7(6-16(13,14)15)8-3-1-2-4-9(8)11-10/h1-5H,6H2,(H,11,12)(H2,13,14,15)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid

M3Q

M3Q
Name:	[(quinolin-8-yl)methyl]phosphonic acid
Formula:	C10 H10 N O3 P
SMILES:	C(c1cccc2cccnc12)P(O)(=O)O
InChi:	InChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(quinolin-8-yl)methyl]phosphonic acid

7SX

7SX
Name:	[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Formula:	C12 H14 N O4 P
SMILES:	Cc1cc2c(c(c1)C)C(CP(O)(O)=O)=CC(=O)N2
InChi:	InChI=1S/C12H14NO4P/c1-7-3-8(2)12-9(6-18(15,16)17)5-11(14)13-10(12)4-7/h3-5H,6H2,1-2H3,(H,13,14)(H2,15,16,17)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid

HZD

HZD
Name:	4-[(3-{2,16-dioxo-20-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
Formula:	C38 H50 N6 O6 S2
SMILES:	C(NCCOCCOCCOCCNC(CCCCC1SCC2NC(=O)NC12)=O)(C[n+]6c(Cc3cc[n+](C)c4c3cccc4)sc5c6cccc5)=O
InChi:	InChI=1S/C38H48N6O6S2/c1-43-17-14-27(28-8-2-3-9-30(28)43)24-36-44(31-10-4-5-11-32(31)52-36)25-35(46)40-16-19-49-21-23-50-22-20-48-18-15-39-34(45)13-7-6-12-33-37-29(26-51-33)41-38(47)42-37/h2-5,8-11,14,17,29,33,37H,6-7,12-13,15-16,18-26H2,1H3,(H2-2,39,40,41,42,45,46,47)/p+2/t29-,33-,37-/m1/s1
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	4-[(3-{2,16-dioxo-20-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium

HZG

HZG
Name:	1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
Formula:	C21 H20 N2 O S
SMILES:	c3cc(Cc1[n+](CC(C)=O)c2c(s1)cccc2)c4c([n+]3C)cccc4
InChi:	InChI=1S/C21H20N2OS/c1-15(24)14-23-19-9-5-6-10-20(19)25-21(23)13-16-11-12-22(2)18-8-4-3-7-17(16)18/h3-12H,13-14H2,1-2H3/q+2
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium

J6E

J6E
Name:	~{N}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
Formula:	C21 H23 F N6 O2
SMILES:	Fc1ccc(NC(=O)N2CCCC2)cc1c3ccn4c(cnc4n3)N5CCOCC5
InChi:	InChI=1S/C21H23FN6O2/c22-17-4-3-15(24-21(29)27-6-1-2-7-27)13-16(17)18-5-8-28-19(14-23-20(28)25-18)26-9-11-30-12-10-26/h3-5,8,13-14H,1-2,6-7,9-12H2,(H,24,29)
Definition date:	2019-02-01
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	~{N}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide

GQY

GQY
Name:	2-methoxy-4-morpholin-4-yl-aniline
Formula:	C11 H16 N2 O2
SMILES:	COc1cc(ccc1N)N2CCOCC2
InChi:	InChI=1S/C11H16N2O2/c1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-3,8H,4-7,12H2,1H3
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	2-methoxy-4-morpholin-4-yl-aniline

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