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MU7

MU7
Name:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
Formula:	C20 H19 I N2 O4
SMILES:	Ic1ccccc1C(NCCC3=Cc2c(ccc(c2NC3=O)OC)OC)=O
InChi:	InChI=1S/C20H19IN2O4/c1-26-16-7-8-17(27-2)18-14(16)11-12(19(24)23-18)9-10-22-20(25)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
Definition date:	2019-04-16
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide

O6W

O6W
Name:	4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide
Formula:	C13 H13 F3 N2 O2 S
SMILES:	FC(F)(F)CCC[S](=O)(=O)Nc1ccc2cnccc2c1
InChi:	InChI=1S/C13H13F3N2O2S/c14-13(15,16)5-1-7-21(19,20)18-12-3-2-11-9-17-6-4-10(11)8-12/h2-4,6,8-9,18H,1,5,7H2
Definition date:	2020-02-17
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide

MZQ

MZQ
Name:	7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one
Formula:	C22 H20 F2 N2 O2
SMILES:	CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(F)cc4F
InChi:	InChI=1S/C22H20F2N2O2/c1-2-21(27)26-8-7-15(12-26)20-10-14-4-3-13(9-18(14)22(28)25-20)17-6-5-16(23)11-19(17)24/h3-6,9,11,15H,2,7-8,10,12H2,1H3/t15-/m1/s1
Definition date:	2019-10-30
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one

RJG

RJG
Name:	(3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one
Formula:	C16 H18 N2 O
SMILES:	N13C5CC2CNCC12C(CC5c4c(C3)cccc4)=O
InChi:	InChI=1S/C16H18N2O/c19-15-6-13-12-4-2-1-3-10(12)8-18-14(13)5-11-7-17-9-16(11,15)18/h1-4,11,13-14,17H,5-9H2/t11-,13-,14-,16+/m1/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one

96H

96H
Name:	Triisopropanolamine
Formula:	C9 H21 N O3
SMILES:	C[CH](O)CN(C[CH](C)O)C[CH](C)O
InChi:	InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
Definition date:	2017-04-25
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(2~{S})-1-[bis[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol

EVC

EVC
Name:	N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
Formula:	C28 H39 N9 O4 S
SMILES:	CCN[S](=O)(=O)c1ccccc1Nc2ncnc(Nc3ccc(N4CCN(C)CC4)c(OCCN5CCOCC5)c3)n2
InChi:	InChI=1S/C28H39N9O4S/c1-3-31-42(38,39)26-7-5-4-6-23(26)33-28-30-21-29-27(34-28)32-22-8-9-24(37-12-10-35(2)11-13-37)25(20-22)41-19-16-36-14-17-40-18-15-36/h4-9,20-21,31H,3,10-19H2,1-2H3,(H2,29,30,32,33,34)
Definition date:	2020-02-05
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	~{N}-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide

D4X

D4X
Name:	(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one
Formula:	C17 H23 N O3
SMILES:	C[CH]1CCC[CH](C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)N2
InChi:	InChI=1S/C17H23NO3/c1-10-3-2-4-11(5-10)6-13-7-12-8-14(19)9-15(20)16(12)17(21)18-13/h8-11,13,19-20H,2-7H2,1H3,(H,18,21)/t10-,11-,13-/m0/s1
Definition date:	2019-07-03
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one

RV4

RV4
Name:	N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide
Formula:	C13 H18 N2 O2
SMILES:	N(C(C)=O)c1ccc(cc1)CN2CCOCC2
InChi:	InChI=1S/C13H18N2O2/c1-11(16)14-13-4-2-12(3-5-13)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)
Definition date:	2020-02-25
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide

LWB

LWB
Name:	4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
Formula:	C30 H33 N5 O3
SMILES:	COCc1nc2cnc3cc(c(OC[CH]4CCNC4)cc3c2n1[CH](C)c5ccccc5)c6c(C)onc6C
InChi:	InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1
Definition date:	2019-09-23
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

DU9

DU9
Name:	6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
Formula:	C27 H35 F N6 O3
SMILES:	C[CH]1CN(C[CH](C)O1)c2cc(F)c3c(c2)N(C)C(=O)C34CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5
InChi:	InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+
Definition date:	2019-08-28
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	6-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

T3J

T3J
Name:	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
Formula:	C12 H14 F N O2
SMILES:	c1(ccc(F)cc1)C2CN(C(C)=O)CCO2
InChi:	InChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one

T4J

T4J
Name:	N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
Formula:	C13 H16 N2 O2 S
SMILES:	N1(CCSCC1)C(c2cccc(c2)NC(C)=O)=O
InChi:	InChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide

T8A

T8A
Name:	1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Formula:	C17 H17 N O
SMILES:	c2cc3C(c1ccccc1)CN(C(C)=O)Cc3cc2
InChi:	InChI=1S/C17H17NO/c1-13(19)18-11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one

T1S

T1S
Name:	4-[(3-chlorophenyl)methyl]morpholine
Formula:	C11 H14 Cl N O
SMILES:	C1CN(CCO1)Cc2cccc(Cl)c2
InChi:	InChI=1S/C11H14ClNO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	4-[(3-chlorophenyl)methyl]morpholine

M3J

M3J
Name:	6-bromo-N~2~-phenylquinazoline-2,4-diamine
Formula:	C14 H11 Br N4
SMILES:	c3cc(Nc2nc1ccc(Br)cc1c(N)n2)ccc3
InChi:	InChI=1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19)
Definition date:	2019-03-20
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	6-bromo-N~2~-phenylquinazoline-2,4-diamine

BS0

BS0
Name:	6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
Formula:	C19 H16 N2 O2 S
SMILES:	O=C1CCc2cc(ccc2N1)c3csc(COc4ccccc4)n3
InChi:	InChI=1S/C19H16N2O2S/c22-18-9-7-13-10-14(6-8-16(13)20-18)17-12-24-19(21-17)11-23-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11H2,(H,20,22)
Definition date:	2019-03-05
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1~{H}-quinolin-2-one

K0B

K0B
Name:	~{N}-[[4,5-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine
Formula:	C27 H22 F2 N8 O
SMILES:	Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)c5ccc6ccccc6c5)N7CCOCC7)nc2c1F
InChi:	InChI=1S/C27H22F2N8O/c28-19-7-8-20-23(22(19)29)33-21(32-20)14-30-25-24-26(35-27(34-25)36-9-11-38-12-10-36)37(15-31-24)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13,15H,9-12,14H2,(H,32,33)(H,30,34,35)
Definition date:	2019-04-11
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	~{N}-[[4,5-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine

K0E

K0E
Name:	~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine
Formula:	C23 H19 F3 N8 O
SMILES:	Fc1cccc(c1)n2cnc3c(NCc4[nH]c5c(F)c(F)ccc5n4)nc(nc23)N6CCOCC6
InChi:	InChI=1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)
Definition date:	2019-04-11
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine

JH8

JH8
Name:	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide
Formula:	C22 H20 N4 O
SMILES:	CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccccc34
InChi:	InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3
Definition date:	2019-02-25
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide

JHW

JHW
Name:	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
Formula:	C17 H12 N4 O S
SMILES:	O=C1N(C=Nc2ccc3nc(sc3c12)c4cccnc4)C5CC5
InChi:	InChI=1S/C17H12N4OS/c22-17-14-12(19-9-21(17)11-3-4-11)5-6-13-15(14)23-16(20-13)10-2-1-7-18-8-10/h1-2,5-9,11H,3-4H2
Definition date:	2019-02-27
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one

RZJ

RZJ
Name:	1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide
Formula:	C10 H14 N2 O2 S
SMILES:	CN1CCCc2ccc(cc12)[S](N)(=O)=O
InChi:	InChI=1S/C10H14N2O2S/c1-12-6-2-3-8-4-5-9(7-10(8)12)15(11,13)14/h4-5,7H,2-3,6H2,1H3,(H2,11,13,14)
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide

OFW

OFW
Name:	(2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide
Formula:	C26 H35 N5 O6 S
SMILES:	C[C]1(CN(CCO1)[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(N)C5CC6CC(C5)CC4C6
InChi:	InChI=1S/C26H35N5O6S/c1-25(24(34)29-14-26(27)18-9-16-8-17(11-18)12-19(26)10-16)15-30(6-7-37-25)38(35,36)20-2-3-21(28-13-20)31-22(32)4-5-23(31)33/h2-3,13,16-19H,4-12,14-15,27H2,1H3,(H,29,34)/t16-,17+,18-,19+,25-,26-/m1/s1
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	(2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide

O5D

O5D
Name:	[3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone
Formula:	C22 H24 Cl N5 O3
SMILES:	c1(nnc(c1)c2cc(c(cn2)N)C)C(N4CCOCC4Cc3c(cccc3OC)Cl)=O
InChi:	InChI=1S/C22H24ClN5O3/c1-13-8-18(25-11-17(13)24)19-10-20(27-26-19)22(29)28-6-7-31-12-14(28)9-15-16(23)4-3-5-21(15)30-2/h3-5,8,10-11,14H,6-7,9,12,24H2,1-2H3,(H,26,27)/t14-/m1/s1
Definition date:	2019-06-11
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	[3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone

O5G

O5G
Name:	{(3R)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone
Formula:	C22 H24 N4 O3
SMILES:	c3(C(N2CCOCC2Cc1ccccc1OC)=O)cc(nn3)c4cc(ccn4)C
InChi:	InChI=1S/C22H24N4O3/c1-15-7-8-23-18(11-15)19-13-20(25-24-19)22(27)26-9-10-29-14-17(26)12-16-5-3-4-6-21(16)28-2/h3-8,11,13,17H,9-10,12,14H2,1-2H3,(H,24,25)/t17-/m1/s1
Definition date:	2019-06-11
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	{(3R)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone

O5M

O5M
Name:	{(3R)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone
Formula:	C21 H21 F N4 O2
SMILES:	c3(C(N2CCOCC2Cc1c(cccc1)F)=O)cc(nn3)c4cc(ccn4)C
InChi:	InChI=1S/C21H21FN4O2/c1-14-6-7-23-18(10-14)19-12-20(25-24-19)21(27)26-8-9-28-13-16(26)11-15-4-2-3-5-17(15)22/h2-7,10,12,16H,8-9,11,13H2,1H3,(H,24,25)/t16-/m1/s1
Definition date:	2019-06-11
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	{(3R)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone

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