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M16

M16
Name:	7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
Formula:	C18 H19 N3
SMILES:	NCCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
InChi:	InChI=1S/C18H19N3/c1-12-10-18(20)21-17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-19/h2-7,10-11H,8-9,19H2,1H3,(H2,20,21)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine

MJ4

MJ4
Name:	(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
Formula:	C9 H15 N O S
SMILES:	N(CC(C)O)Cc1ccc(s1)C
InChi:	InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1
Definition date:	2019-04-04
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol

N2Z

N2Z
Name:	3-(2-chlorophenyl)-4~{H}-1,2,4-triazole
Formula:	C8 H6 Cl N3
SMILES:	Clc1ccccc1c2[nH]cnn2
InChi:	InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	3-(2-chlorophenyl)-4~{H}-1,2,4-triazole

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

N3W

N3W
Name:	2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline
Formula:	C8 H7 Cl N4
SMILES:	Nc1cccc(c1Cl)c2[nH]cnn2
InChi:	InChI=1S/C8H7ClN4/c9-7-5(2-1-3-6(7)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline

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

NJW

NJW
Name:	5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid
Formula:	C24 H17 N3 O7
SMILES:	NC(c1ccccc1)=C2[CH](N(c3ccc(O)c(c3)C(O)=O)C(=O)C2=O)c4ccc(cc4)[N+]([O-])=O
InChi:	InChI=1S/C24H17N3O7/c25-20(13-4-2-1-3-5-13)19-21(14-6-8-15(9-7-14)27(33)34)26(23(30)22(19)29)16-10-11-18(28)17(12-16)24(31)32/h1-12,21,28H,25H2,(H,31,32)/b20-19-/t21-/m1/s1
Definition date:	2019-12-02
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	5-[(2~{R},3~{Z})-3-[azanyl(phenyl)methylidene]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid

NYN

NYN
Name:	chlorido(1,2-diaminoethane-k2N,N')(1,4,7-trithiacyclononane-k3S,S',S'')ruthenium(II) trifluoromethanesulfonate
Formula:	C8 H16 N2 Ru S3
SMILES:	C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4
InChi:	InChI=1S/C6H12S3.C2H4N2.Ru/c1-2-8-5-6-9-4-3-7-1
Definition date:	2020-01-10
Last modified:	2020-04-24
Release date:	2020-04-29

O81

O81
Name:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
Formula:	C6 H19 O27 P7
SMILES:	OP(OP(OC1C(C(C(C(OP(O)(O)=O)C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O)=O)(O)=O
InChi:	InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-/m1/s1
Definition date:	2019-06-18
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate

OJ5

OJ5
Name:	4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Formula:	C16 H15 Cl N4 O
SMILES:	Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:	InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
Definition date:	2020-03-13
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

OKN

OKN
Name:	5'-methyl-2'-deoxycytidine-5'-phosphorothioate
Formula:	C10 H16 N3 O6 P S
SMILES:	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(S)=O)O2)C(=O)N=C1N
InChi:	InChI=1S/C10H16N3O6PS/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(19-8)4-18-20(16,17)21/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,21)/t6-,7+,8+/m0/s1
Definition date:	2020-03-19
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

OKQ

OKQ
Name:	2'-O-methylcytidine-5'-phosphorothioate
Formula:	C10 H16 N3 O7 P S
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=NC2=O)N
InChi:	InChI=1S/C10H16N3O7PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1
Definition date:	2020-03-19
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

OKT

OKT
Name:	2'-O-methyluridine-5'-phosphorothioate
Formula:	C10 H15 N2 O8 P S
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=O)NC2=O
InChi:	InChI=1S/C10H15N2O8PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1
Definition date:	2020-03-19
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic 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

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