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L3H

L3H
Name:	[(3~{S})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-1-ium-3-yl] ~{N}-phenylcarbamate
Formula:	C21 H25 N2 O2
SMILES:	O=C(Nc1ccccc1)O[CH]2CCC[NH+](C2)C3Cc4ccccc4C3
InChi:	InChI=1S/C21H24N2O2/c24-21(22-18-9-2-1-3-10-18)25-20-11-6-12-23(15-20)19-13-16-7-4-5-8-17(16)14-19/h1-5,7-10,19-20H,6,11-15H2,(H,22,24)/p+1/t20-/m0/s1
Definition date:	2019-07-17
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(3~{S})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-1-ium-3-yl] ~{N}-phenylcarbamate

60Z

60Z
Name:	(3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione
Formula:	C36 H51 N O7
SMILES:	C14(OC(C(C(C(C)CC=CCC=CC(OC(C2CCCCN2C(=O)C1=O)=O)C(Cc3ccccc3)CC)O)C)CCC4C)O
InChi:	InChI=1S/C36H51NO7/c1-5-28(23-27-16-10-8-11-17-27)31-19-12-7-6-9-15-24(2)32(38)26(4)30-21-20-25(3)36(42,44-30)33(39)34(40)37-22-14-13-18-29(37)35(41)43-31/h6,8-12,16-17,19,24-26,28-32,38,42H,5,7,13-15,18,20-23H2,1-4H3/b9-6+,19-12+/t24-,25-,26+,28-,29+,30+,31+,32+,36-/m1/s1
Definition date:	2016-01-12
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	(3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione

F8L

F8L
Name:	[(2Z,6E,10E,14Z,18E,22Z,26Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate
Formula:	C55 H91 O8 P
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C55H91O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-58H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23?,44-25?,45-27-,46-29-,47-31+,48-33-,49-35+,50-37+,51-39-/t52-,53-,54+,55+/m1/s1
Definition date:	2020-04-14
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{Z},6~{E},10~{E},14~{Z},18~{E},22~{Z},26~{Z})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate

E5L

E5L
Name:	2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
Formula:	C23 H39 N O4
SMILES:	CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
InChi:	InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
Definition date:	2019-10-18
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2,2-dimethyl-~{N}-(2,4,6-trimethoxyphenyl)dodecanamide

N3Q

N3Q
Name:	2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol
Formula:	C12 H14 Cl2 N4 O2
SMILES:	OCCN(CCO)c1cc(Cl)c(c(Cl)c1)c2[nH]cnn2
InChi:	InChI=1S/C12H14Cl2N4O2/c13-9-5-8(18(1-3-19)2-4-20)6-10(14)11(9)12-15-7-16-17-12/h5-7,19-20H,1-4H2,(H,15,16,17)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol

N51

N51
Name:	4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide
Formula:	C31 H29 N7 O2
SMILES:	N(C([C@H]=CCN(C)C)=O)c1ccc(cc1)C(=O)Nc5cc(Nc2cc(ncn2)c4cnc3c4cccc3)ccc5
InChi:	InChI=1S/C31H29N7O2/c1-38(2)16-6-11-30(39)36-22-14-12-21(13-15-22)31(40)37-24-8-5-7-23(17-24)35-29-18-28(33-20-34-29)26-19-32-27-10-4-3-9-25(26)27/h3-15,17-20,32H,16H2,1-2H3,(H,36,39)(H,37,40)(H,33,34,35)/b11-6+
Definition date:	2019-05-02
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide

NE5

NE5
Name:	5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
Formula:	C24 H16 N2 O8
SMILES:	OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N+](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4
InChi:	InChI=1S/C24H16N2O8/c27-18-11-10-16(12-17(18)24(31)32)25-20(13-6-8-15(9-7-13)26(33)34)19(22(29)23(25)30)21(28)14-4-2-1-3-5-14/h1-12,20,27,29H,(H,31,32)/q+1/t20-/m1/s1
Definition date:	2019-11-26
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid

OS7

OS7
Name:	7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C23 H22 N4 O
SMILES:	c41c(c(cc(n1)N)C)ccc(c2cc(c(cc2)OCc3ccccn3)CN)c4
InChi:	InChI=1S/C23H22N4O/c1-15-10-23(25)27-21-12-17(5-7-20(15)21)16-6-8-22(18(11-16)13-24)28-14-19-4-2-3-9-26-19/h2-12H,13-14,24H2,1H3,(H2,25,27)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OSD

OSD
Name:	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
Formula:	C20 H23 N3 O
SMILES:	c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN
InChi:	InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine

OSG

OSG
Name:	7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
Formula:	C20 H23 N3 O
SMILES:	c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C
InChi:	InChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine

OSJ

OSJ
Name:	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
Formula:	C19 H21 N3 O
SMILES:	NCc1cc(ccc1OCC)c2ccc3c(c2)nc(cc3C)N
InChi:	InChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine

OSY

OSY
Name:	7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine
Formula:	C17 H17 N3
SMILES:	NCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
InChi:	InChI=1S/C17H17N3/c1-11-8-17(19)20-16-9-14(6-7-15(11)16)13-4-2-12(10-18)3-5-13/h2-9H,10,18H2,1H3,(H2,19,20)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine

OT4

OT4
Name:	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
Formula:	C18 H19 N3
SMILES:	NCCc1cccc(c1)c2cc3c(cc2)c(cc(N)n3)C
InChi:	InChI=1S/C18H19N3/c1-12-9-18(20)21-17-11-15(5-6-16(12)17)14-4-2-3-13(10-14)7-8-19/h2-6,9-11H,7-8,19H2,1H3,(H2,20,21)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine

OU1

OU1
Name:	7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine
Formula:	C21 H23 N3 O
SMILES:	c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OCC4CC4)CN
InChi:	InChI=1S/C21H23N3O/c1-13-8-21(23)24-19-10-16(4-6-18(13)19)15-5-7-20(17(9-15)11-22)25-12-14-2-3-14/h4-10,14H,2-3,11-12,22H2,1H3,(H2,23,24)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine

OU4

OU4
Name:	7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O2
SMILES:	c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3ncoc3)c(CN)c4
InChi:	InChI=1S/C21H20N4O2/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)27-11-17-10-26-12-24-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OU7

OU7
Name:	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O S
SMILES:	c21nc(N)cc(c1ccc(c2)c4ccc(OCc3cncs3)c(CN)c4)C
InChi:	InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-11-17-10-24-12-27-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OUA

OUA
Name:	7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
Formula:	C16 H16 N4
SMILES:	Cc3c2ccc(c1cc(CN)cnc1)cc2nc(c3)N
InChi:	InChI=1S/C16H16N4/c1-10-4-16(18)20-15-6-12(2-3-14(10)15)13-5-11(7-17)8-19-9-13/h2-6,8-9H,7,17H2,1H3,(H2,18,20)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine

OUG

OUG
Name:	7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine
Formula:	C17 H17 N3
SMILES:	c31c(c(C)cc(N)n1)ccc(c2cc(ccc2)CN)c3
InChi:	InChI=1S/C17H17N3/c1-11-7-17(19)20-16-9-14(5-6-15(11)16)13-4-2-3-12(8-13)10-18/h2-9H,10,18H2,1H3,(H2,19,20)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine

OUJ

OUJ
Name:	7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O S
SMILES:	c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc(nc3c4)N)C
InChi:	InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)
Definition date:	2019-07-05
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OUM

OUM
Name:	4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile
Formula:	C25 H22 N4 O
SMILES:	c21c(c(cc(n1)N)C)ccc(c2)c3ccc(c(CN)c3)OCc4ccc(cc4)C#N
InChi:	InChI=1S/C25H22N4O/c1-16-10-25(28)29-23-12-20(6-8-22(16)23)19-7-9-24(21(11-19)14-27)30-15-18-4-2-17(13-26)3-5-18/h2-12H,14-15,27H2,1H3,(H2,28,29)
Definition date:	2019-07-05
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile

OUP

OUP
Name:	7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine
Formula:	C22 H25 N3 O
SMILES:	c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCC4CCC4)CN)N
InChi:	InChI=1S/C22H25N3O/c1-14-9-22(24)25-20-11-17(5-7-19(14)20)16-6-8-21(18(10-16)12-23)26-13-15-3-2-4-15/h5-11,15H,2-4,12-13,23H2,1H3,(H2,24,25)
Definition date:	2019-07-05
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine

OUS

OUS
Name:	7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C23 H22 N4 O
SMILES:	c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCc4cnccc4)CN)N
InChi:	InChI=1S/C23H22N4O/c1-15-9-23(25)27-21-11-18(4-6-20(15)21)17-5-7-22(19(10-17)12-24)28-14-16-3-2-8-26-13-16/h2-11,13H,12,14,24H2,1H3,(H2,25,27)
Definition date:	2019-07-05
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine

LKQ

LKQ
Name:	~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
Formula:	C25 H24 N8 O2
SMILES:	COc1nn(C)cc1Nc2ncc(C)c(n2)c3c[nH]c4c(NC(=O)c5cccnc5C)cccc34
InChi:	InChI=1S/C25H24N8O2/c1-14-11-28-25(30-20-13-33(3)32-24(20)35-4)31-21(14)18-12-27-22-17(18)7-5-9-19(22)29-23(34)16-8-6-10-26-15(16)2/h5-13,27H,1-4H3,(H,29,34)(H,28,30,31)
Definition date:	2019-08-21
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide

LKT

LKT
Name:	2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile
Formula:	C23 H19 Cl N8
SMILES:	Clc1cccc(N2CC[CH](C2)[CH](CC#N)n3cc(cn3)c4ncnc5[nH]ccc45)c1C#N
InChi:	InChI=1S/C23H19ClN8/c24-19-2-1-3-21(18(19)10-26)31-9-6-15(12-31)20(4-7-25)32-13-16(11-30-32)22-17-5-8-27-23(17)29-14-28-22/h1-3,5,8,11,13-15,20H,4,6,9,12H2,(H,27,28,29)/t15-,20-/m0/s1
Definition date:	2019-08-21
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile

LT7

LT7
Name:	~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
Formula:	C13 H17 N3 O
SMILES:	CC(C)NCc1onc(n1)c2ccc(C)cc2
InChi:	InChI=1S/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3
Definition date:	2019-03-13
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

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