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5F7

5F7
Name:	N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine
Formula:	C17 H14 Cl2 N2 O
SMILES:	c1cc(OC)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)C
InChi:	InChI=1S/C17H14Cl2N2O/c1-21(17-13(18)4-3-5-14(17)19)11-6-7-15-12(10-11)16(22-2)8-9-20-15/h3-10H,1-2H3
Definition date:	2015-09-18
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine

6EW

6EW
Name:	N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
Formula:	C23 H27 F3 N2 O4 S
SMILES:	O=S(c1ccc(c(c1)C)C)(N(c2ccc3c(c2)OCC(C)(C)C(N3CC)=O)CC(F)(F)F)=O
InChi:	InChI=1S/C23H27F3N2O4S/c1-6-27-19-10-8-17(12-20(19)32-14-22(4,5)21(27)29)28(13-23(24,25)26)33(30,31)18-9-7-15(2)16(3)11-18/h7-12H,6,13-14H2,1-5H3
Definition date:	2016-03-24
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide

6F1

6F1
Name:	N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
Formula:	C20 H21 F3 N2 O4 S
SMILES:	c1c(C)c(C)cc(c1)S(=O)(N(c3cc2OCC(N(CC)c2cc3)=O)CC(F)(F)F)=O
InChi:	InChI=1S/C20H21F3N2O4S/c1-4-24-17-8-6-15(10-18(17)29-11-19(24)26)25(12-20(21,22)23)30(27,28)16-7-5-13(2)14(3)9-16/h5-10H,4,11-12H2,1-3H3
Definition date:	2016-03-25
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide

6FT

6FT
Name:	5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid
Formula:	C19 H16 N2 O6 S
SMILES:	O=C1C(=CN(C=C1C(O)=O)Cc2ccc(cc2)c3ccc(cc3)S(N)(=O)=O)O
InChi:	InChI=1S/C19H16N2O6S/c20-28(26,27)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-21-10-16(19(24)25)18(23)17(22)11-21/h1-8,10-11,22H,9H2,(H,24,25)(H2,20,26,27)
Definition date:	2016-03-31
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid

7DD

7DD
Name:	7-deazaadenosine-5'-diphosphate
Formula:	C11 H16 N4 O10 P2
SMILES:	Nc1ncnc2n(ccc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C11H16N4O10P2/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(17)7(16)6(24-11)3-23-27(21,22)25-26(18,19)20/h1-2,4,6-8,11,16-17H,3H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t6-,7-,8-,11-/m1/s1
Definition date:	2015-12-07
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

7DT

7DT
Name:	7-deazaadenosine-5'-triphosphate
Formula:	C11 H17 N4 O13 P3
SMILES:	Nc1ncnc2n(ccc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C11H17N4O13P3/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(17)7(16)6(26-11)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4,6-8,11,16-17H,3H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t6-,7-,8-,11-/m1/s1
Definition date:	2015-12-07
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

6E2

6E2
Name:	2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide
Formula:	C23 H28 N8 O4
SMILES:	COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5
InChi:	InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)
Definition date:	2016-04-12
Last modified:	2016-06-07
Release date:	2016-04-20
Identifier:	2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide

LKB

LKB
Name:	~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
Formula:	C20 H13 N5 O
SMILES:	O=C(Nc1c[nH]c2ncc(cc12)c3ccc(cc3)C#N)c4cccnc4
InChi:	InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26)
Definition date:	2016-05-26
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

2H4

2H4
Name:	(1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Formula:	C16 H17 N O4
SMILES:	Oc1ccc(cc1O)CC3c2c(cc(O)c(O)c2)CCN3
InChi:	InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1
Definition date:	2014-03-27
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	(1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

4V7

4V7
Name:	N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide
Formula:	C23 H27 F2 N7 O2
SMILES:	n1c2c(cc(F)c1)c(c(n2)CO)c3nc(c(F)cn3)NC4CCCC(C4)NC(N5CCCC5)=O
InChi:	InChI=1S/C23H27F2N7O2/c24-13-8-16-19(18(12-33)30-20(16)26-10-13)22-27-11-17(25)21(31-22)28-14-4-3-5-15(9-14)29-23(34)32-6-1-2-7-32/h8,10-11,14-15,33H,1-7,9,12H2,(H,26,30)(H,29,34)(H,27,28,31)/t14-,15+/m0/s1
Definition date:	2015-06-04
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide

57N

57N
Name:	(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
Formula:	C19 H15 N3 O2 S
SMILES:	c1(nccs1)NC(C(c2ccccc2)N4C(c3ccccc3C4)=O)=O
InChi:	InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)/t16-/m1/s1
Definition date:	2015-08-10
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

63E

63E
Name:	4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Formula:	C15 H17 N5
SMILES:	c3cnc1c(c(cn1)c2nc(N)nc(c2)CCCC)c3
InChi:	InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)
Definition date:	2016-01-19
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

67B

67B
Name:	N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
Formula:	C17 H17 N3 O2
SMILES:	c3c(C(=O)N(C)C)cc(C1=CN(C)C(=O)c2c1ccn2)cc3
InChi:	InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
Definition date:	2016-02-10
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide

67C

67C
Name:	3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide
Formula:	C20 H21 N3 O2
SMILES:	CN(C(=O)c1cc(ccc1)C=3c2c(ncc2)C(N(C=3)CC[C@H]=C)=O)C
InChi:	InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
Definition date:	2016-02-10
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide

6AJ

6AJ
Name:	2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile
Formula:	C21 H21 F N8 O2
SMILES:	c1(c(ccc(c1)F)C#N)Cn4c3C(N2C(N(C(=O)C2)C)=Nc3nc4N5CC(CCC5)N)=O
InChi:	InChI=1S/C21H21FN8O2/c1-27-16(31)11-30-19(32)17-18(25-20(27)30)26-21(28-6-2-3-15(24)10-28)29(17)9-13-7-14(22)5-4-12(13)8-23/h4-5,7,15H,2-3,6,9-11,24H2,1H3/t15-/m1/s1
Definition date:	2016-02-26
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile

6NL

6NL
Name:	(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one
Formula:	C19 H18 O6
SMILES:	COc1c(O)cc(cc1)[C@H]=C(C)C(=O)c2cc(c3c(c2)OCO3)OC
InChi:	InChI=1S/C19H18O6/c1-11(6-12-4-5-15(22-2)14(20)7-12)18(21)13-8-16(23-3)19-17(9-13)24-10-25-19/h4-9,20H,10H2,1-3H3/b11-6+
Definition date:	2016-05-11
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one

5Q0

5Q0
Name:	quinolin-5-ol
Formula:	C9 H7 N O
SMILES:	Oc1cccc2ncccc12
InChi:	InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
Definition date:	2015-11-07
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	quinolin-5-ol

5S9

5S9
Name:	~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide
Formula:	C11 H9 F2 N3 O
SMILES:	Cn1nccc1C(=O)Nc2ccc(F)cc2F
InChi:	InChI=1S/C11H9F2N3O/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17)
Definition date:	2015-11-20
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide

5SB

5SB
Name:	~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide
Formula:	C14 H12 N4 O
SMILES:	CC(=O)Nc1ccc(c2c[nH]nc2)c3cccnc13
InChi:	InChI=1S/C14H12N4O/c1-9(19)18-13-5-4-11(10-7-16-17-8-10)12-3-2-6-15-14(12)13/h2-8H,1H3,(H,16,17)(H,18,19)
Definition date:	2015-11-20
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide

5SG

5SG
Name:	isoquinolin-5-ol
Formula:	C9 H7 N O
SMILES:	Oc1cccc2cnccc12
InChi:	InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
Definition date:	2015-11-21
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	isoquinolin-5-ol

5WR

5WR
Name:	(4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide
Formula:	C28 H31 F3 N6 O
SMILES:	C[CH]1CN(Cc2cc(ccc12)C(=O)Nc3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)c5cncnc5
InChi:	InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m1/s1
Definition date:	2015-12-17
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	(4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide

5XC

5XC
Name:	1,3-benzodioxole-5-carbaldehyde
Formula:	C8 H6 O3
SMILES:	O=Cc1ccc2OCOc2c1
InChi:	InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
Definition date:	2015-12-18
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	1,3-benzodioxole-5-carbaldehyde

61Y

61Y
Name:	4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
Formula:	C16 H15 N7
SMILES:	c3(cnc2ncc(c1nc(N)nc(c1)CC)c2c3)c4cnnc4
InChi:	InChI=1S/C16H15N7/c1-2-11-4-14(23-16(17)22-11)13-8-19-15-12(13)3-9(5-18-15)10-6-20-21-7-10/h3-8H,2H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
Definition date:	2016-01-14
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

62O

62O
Name:	6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole
Formula:	C11 H10 N4 O
SMILES:	c12c(ccc(OC)c1)nc(n2)c3ccnn3
InChi:	InChI=1S/C11H10N4O/c1-16-7-2-3-8-10(6-7)14-11(13-8)9-4-5-12-15-9/h2-6H,1H3,(H,12,15)(H,13,14)
Definition date:	2016-01-18
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole

6DP

6DP
Name:	~{N}-(1~{H}-indazol-4-yl)methanesulfonamide
Formula:	C8 H9 N3 O2 S
SMILES:	C[S](=O)(=O)Nc1cccc2[nH]ncc12
InChi:	InChI=1S/C8H9N3O2S/c1-14(12,13)11-8-4-2-3-7-6(8)5-9-10-7/h2-5,11H,1H3,(H,9,10)
Definition date:	2016-04-06
Last modified:	2016-06-02
Release date:	2016-04-27
Identifier:	~{N}-(1~{H}-indazol-4-yl)methanesulfonamide

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