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47A

47A
Name:	2-amino-1-(4-bromophenyl)ethanone
Formula:	C8 H8 Br N O
SMILES:	O=C(c1ccc(Br)cc1)CN
InChi:	InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-amino-1-(4-bromophenyl)ethanone

47B

47B
Name:	3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine
Formula:	C11 H6 F2 N4
SMILES:	Fc3ccc(c1nnc2nccn2c1)cc3F
InChi:	InChI=1S/C11H6F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-6H
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine

47E

47E
Name:	(2R)-(3-chlorophenyl)(hydroxy)ethanoic acid
Formula:	C8 H7 Cl O3
SMILES:	Clc1cc(ccc1)C(O)C(=O)O
InChi:	InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(2R)-(3-chlorophenyl)(hydroxy)ethanoic acid

47G

47G
Name:	5-(aminomethyl)-2-methoxyphenol
Formula:	C8 H11 N O2
SMILES:	Oc1cc(ccc1OC)CN
InChi:	InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-(aminomethyl)-2-methoxyphenol

47L

47L
Name:	N-[(2R)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide
Formula:	C12 H21 N O2
SMILES:	O=C(NCC1OCCC1)C2CCCCC2
InChi:	InChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h10-11H,1-9H2,(H,13,14)/t11-/m1/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	N-[(2R)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide

47M

47M
Name:	1-[5-(trifluoromethyl)furan-2-yl]methanamine
Formula:	C6 H6 F3 N O
SMILES:	FC(F)(F)c1oc(cc1)CN
InChi:	InChI=1S/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	1-[5-(trifluoromethyl)furan-2-yl]methanamine

47P

47P
Name:	2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one
Formula:	C15 H19 N3 O
SMILES:	O=C1c3ccccc3N=C(N1)CN(C(C)C2CC2)C
InChi:	InChI=1S/C15H19N3O/c1-10(11-7-8-11)18(2)9-14-16-13-6-4-3-5-12(13)15(19)17-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)/t10-/m0/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one

47Q

47Q
Name:	5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C13 H12 N4 O
SMILES:	O=C2Nc1ccc(cc1N2)NCc3ncccc3
InChi:	InChI=1S/C13H12N4O/c18-13-16-11-5-4-9(7-12(11)17-13)15-8-10-3-1-2-6-14-10/h1-7,15H,8H2,(H2,16,17,18)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one

47R

47R
Name:	(1Z)-N,N-diethylethanimidamide
Formula:	C6 H14 N2
SMILES:	[N@H]=C(N(CC)CC)C
InChi:	InChI=1S/C6H14N2/c1-4-8(5-2)6(3)7/h7H,4-5H2,1-3H3/b7-6-
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(1Z)-N,N-diethylethanimidamide

47S

47S
Name:	3-(dimethylamino)benzohydrazide
Formula:	C9 H13 N3 O
SMILES:	O=C(c1cc(N(C)C)ccc1)NN
InChi:	InChI=1S/C9H13N3O/c1-12(2)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	3-(dimethylamino)benzohydrazide

47T

47T
Name:	(2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide
Formula:	C12 H21 N O2
SMILES:	O=C(NC1CCC(C)CC1)C2OCCC2
InChi:	InChI=1S/C12H21NO2/c1-9-4-6-10(7-5-9)13-12(14)11-3-2-8-15-11/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10-,11-/m1/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide

47U

47U
Name:	N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
Formula:	C13 H16 N4 O
SMILES:	O=C(Nc1ncccc1)Cc2c(n(nc2C)C)C
InChi:	InChI=1S/C13H16N4O/c1-9-11(10(2)17(3)16-9)8-13(18)15-12-6-4-5-7-14-12/h4-7H,8H2,1-3H3,(H,14,15,18)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide

47V

47V
Name:	2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide
Formula:	C12 H12 N2 O2
SMILES:	O=C(c1cc(oc1C)C)Nc2ccncc2
InChi:	InChI=1S/C12H12N2O2/c1-8-7-11(9(2)16-8)12(15)14-10-3-5-13-6-4-10/h3-7H,1-2H3,(H,13,14,15)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide

47Y

47Y
Name:	3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine
Formula:	C13 H20 N4 O
SMILES:	N1=CN(C(=[N@H])c2c(c(oc12)C)C)CCCN(C)C
InChi:	InChI=1S/C13H20N4O/c1-9-10(2)18-13-11(9)12(14)17(8-15-13)7-5-6-16(3)4/h8,14H,5-7H2,1-4H3/b14-12+
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine

483

483
Name:	2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide
Formula:	C12 H19 N3 O
SMILES:	O=C(NC1CCC(C)CC1)Cn2ccnc2
InChi:	InChI=1S/C12H19N3O/c1-10-2-4-11(5-3-10)14-12(16)8-15-7-6-13-9-15/h6-7,9-11H,2-5,8H2,1H3,(H,14,16)/t10-,11-
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide

487

487
Name:	6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine
Formula:	C13 H24 N6
SMILES:	n1c(nc(nc1C(N2CCCCCC2)C)N(C)C)N
InChi:	InChI=1S/C13H24N6/c1-10(19-8-6-4-5-7-9-19)11-15-12(14)17-13(16-11)18(2)3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)/t10-/m0/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine

489

489
Name:	(1S)-2-amino-1-(4-fluorophenyl)ethanol
Formula:	C8 H10 F N O
SMILES:	Fc1ccc(cc1)C(O)CN
InChi:	InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1
Definition date:	2015-02-12
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(1S)-2-amino-1-(4-fluorophenyl)ethanol

4A9

4A9
Name:	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide
Formula:	C29 H29 F3 N8 O3 S
SMILES:	FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)NC(=O)c3sc(nc3)Nc5nc(nc(N4CCN(CCO)CC4)c5)C
InChi:	InChI=1S/C29H29F3N8O3S/c1-18-34-24(16-25(35-18)40-10-8-39(9-11-40)12-13-41)38-28-33-17-23(44-28)27(43)37-22-7-3-6-21(15-22)36-26(42)19-4-2-5-20(14-19)29(30,31)32/h2-7,14-17,41H,8-13H2,1H3,(H,36,42)(H,37,43)(H,33,34,35,38)
Definition date:	2015-02-19
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide

4AO

4AO
Name:	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine
Formula:	C12 H15 N5 O
SMILES:	n2c1c(cccc1C)c(OCC)nc2N=C(/N)N
InChi:	InChI=1S/C12H15N5O/c1-3-18-10-8-6-4-5-7(2)9(8)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
Definition date:	2015-02-20
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine

4AQ

4AQ
Name:	2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine
Formula:	C16 H19 N3
SMILES:	N(CCc2c1ccccc1nc2)Cc3cccn3C
InChi:	InChI=1S/C16H19N3/c1-19-10-4-5-14(19)12-17-9-8-13-11-18-16-7-3-2-6-15(13)16/h2-7,10-11,17-18H,8-9,12H2,1H3
Definition date:	2015-02-20
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine

4AS

4AS
Name:	N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine
Formula:	C6 H11 N3
SMILES:	n1ccn(c1CNC)C
InChi:	InChI=1S/C6H11N3/c1-7-5-6-8-3-4-9(6)2/h3-4,7H,5H2,1-2H3
Definition date:	2015-02-21
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine

4AV

4AV
Name:	1-(2-chloro-5-nitrophenyl)-N-methylmethanamine
Formula:	C8 H9 Cl N2 O2
SMILES:	Clc1ccc(cc1CNC)[N+]([O-])=O
InChi:	InChI=1S/C8H9ClN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3
Definition date:	2015-02-21
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	1-(2-chloro-5-nitrophenyl)-N-methylmethanamine

4B7

4B7
Name:	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
Formula:	C27 H29 N7 O3 S
SMILES:	O=C(c1sc(nc1)Nc3nc(nc(N2CCN(CCO)CC2)c3)C)Nc5ccc(Oc4ccccc4)cc5
InChi:	InChI=1S/C27H29N7O3S/c1-19-29-24(17-25(30-19)34-13-11-33(12-14-34)15-16-35)32-27-28-18-23(38-27)26(36)31-20-7-9-22(10-8-20)37-21-5-3-2-4-6-21/h2-10,17-18,35H,11-16H2,1H3,(H,31,36)(H,28,29,30,32)
Definition date:	2015-02-24
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

4LQ

4LQ
Name:	3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide
Formula:	C25 H32 N4 O
SMILES:	CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc3cccc4ccccc34
InChi:	InChI=1S/C25H32N4O/c1-2-29-23(16-15-19-9-4-3-5-10-19)27-28-24(29)17-18-25(30)26-22-14-8-12-20-11-6-7-13-21(20)22/h6-8,11-14,19H,2-5,9-10,15-18H2,1H3,(H,26,30)
Definition date:	2015-08-25
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide

5N8

5N8
Name:	4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one
Formula:	C23 H17 F5 N6 O2
SMILES:	C[CH]1Cn2c(CN1C(=O)c3cccc(c3)C(F)(F)C4=NNC(=O)c5ccccc45)nnc2C(F)(F)F
InChi:	InChI=1S/C23H17F5N6O2/c1-12-10-34-17(29-32-21(34)23(26,27)28)11-33(12)20(36)13-5-4-6-14(9-13)22(24,25)18-15-7-2-3-8-16(15)19(35)31-30-18/h2-9,12H,10-11H2,1H3,(H,31,35)/t12-/m0/s1
Definition date:	2015-10-27
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one

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