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EOW

EOW
Name:	(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
Formula:	C11 H14 N O5 P
SMILES:	Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O
InChi:	InChI=1S/C11H14NO5P/c1-3-4-5-10-11(13)8(2)9(6-12-10)7-17-18(14,15)16/h1,6,13H,4-5,7H2,2H3,(H2,14,15,16)
Definition date:	2018-04-05
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

EQ4

EQ4
Name:	5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine
Formula:	C13 H17 N8 O7 P
SMILES:	P(OCC1OC(C(C1O)O)n3c2N=C(NC(c2nc3)=O)N)(O)(=O)n4ccnc4N
InChi:	InChI=1S/C13H17N8O7P/c14-12-18-9-6(10(24)19-12)17-4-20(9)11-8(23)7(22)5(28-11)3-27-29(25,26)21-2-1-16-13(21)15/h1-2,4-5,7-8,11,22-23H,3H2,(H2,15,16)(H,25,26)(H3,14,18,19,24)/t5-,7-,8-,11-/m1/s1
Definition date:	2018-01-25
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine

EQT

EQT
Name:	4-chloranyl-1~{H}-indazol-3-amine
Formula:	C7 H6 Cl N3
SMILES:	Nc1n[nH]c2cccc(Cl)c12
InChi:	InChI=1S/C7H6ClN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)
Definition date:	2018-04-10
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	4-chloranyl-1~{H}-indazol-3-amine

EQW

EQW
Name:	5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine
Formula:	C9 H12 Cl N3 O
SMILES:	Clc1cnc(NC2CCOCC2)nc1
InChi:	InChI=1S/C9H12ClN3O/c10-7-5-11-9(12-6-7)13-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,11,12,13)
Definition date:	2018-04-10
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine

EQY

EQY
Name:	methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Formula:	C18 H11 F2 N5 O2
SMILES:	c2nc1nc(c(c(n1n2)c3cc(cc(c3)F)F)C(OC)=O)c4cccnc4
InChi:	InChI=1S/C18H11F2N5O2/c1-27-17(26)14-15(10-3-2-4-21-8-10)24-18-22-9-23-25(18)16(14)11-5-12(19)7-13(20)6-11/h2-9H,1H3
Definition date:	2018-01-29
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

EQZ

EQZ
Name:	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one
Formula:	C20 H23 Cl N4 O3
SMILES:	COCCN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl
InChi:	InChI=1S/C20H23ClN4O3/c1-27-9-6-25-12-14-3-2-13(10-16(14)19(25)26)18-17(21)11-22-20(24-18)23-15-4-7-28-8-5-15/h2-3,10-11,15H,4-9,12H2,1H3,(H,22,23,24)
Definition date:	2018-04-10
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one

ER7

ER7
Name:	1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Formula:	C14 H11 F N4 O
SMILES:	n1c3n(nc1)c(c2cc(ccc2)F)c(c(C)n3)C(C)=O
InChi:	InChI=1S/C14H11FN4O/c1-8-12(9(2)20)13(10-4-3-5-11(15)6-10)19-14(18-8)16-7-17-19/h3-7H,1-2H3
Definition date:	2018-01-29
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one

ER8

ER8
Name:	~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide
Formula:	C23 H28 Cl N5 O3
SMILES:	CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl
InChi:	InChI=1S/C23H28ClN5O3/c1-23(2,3)28-19(30)13-29-12-15-5-4-14(10-17(15)21(29)31)20-18(24)11-25-22(27-20)26-16-6-8-32-9-7-16/h4-5,10-11,16H,6-9,12-13H2,1-3H3,(H,28,30)(H,25,26,27)
Definition date:	2018-04-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide

ERK

ERK
Name:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide
Formula:	C27 H28 Cl N5 O3
SMILES:	C[CH](NC(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)c5ccccc5
InChi:	InChI=1S/C27H28ClN5O3/c1-17(18-5-3-2-4-6-18)30-24(34)16-33-15-20-8-7-19(13-22(20)26(33)35)25-23(28)14-29-27(32-25)31-21-9-11-36-12-10-21/h2-8,13-14,17,21H,9-12,15-16H2,1H3,(H,30,34)(H,29,31,32)/t17-/m1/s1
Definition date:	2018-04-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide

ERW

ERW
Name:	~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide
Formula:	C24 H30 Cl N5 O3
SMILES:	CN(C(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)C(C)(C)C
InChi:	InChI=1S/C24H30ClN5O3/c1-24(2,3)29(4)20(31)14-30-13-16-6-5-15(11-18(16)22(30)32)21-19(25)12-26-23(28-21)27-17-7-9-33-10-8-17/h5-6,11-12,17H,7-10,13-14H2,1-4H3,(H,26,27,28)
Definition date:	2018-04-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide

B5Q

B5Q
Name:	[2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
Formula:	C25 H23 N5 O
SMILES:	CNCc1ccccc1c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2
InChi:	InChI=1S/C25H23N5O/c1-27-13-17-6-4-5-9-20(17)16-10-11-22-21(12-16)23(29-25(26)28-22)24(31)30-14-18-7-2-3-8-19(18)15-30/h2-12,27H,13-15H2,1H3,(H2,26,28,29)
Definition date:	2017-09-18
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	[2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone

ERZ

ERZ
Name:	~{N}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine
Formula:	C10 H13 N5
SMILES:	Cn1ncc(Nc2ncc(C)cn2)c1C
InChi:	InChI=1S/C10H13N5/c1-7-4-11-10(12-5-7)14-9-6-13-15(3)8(9)2/h4-6H,1-3H3,(H,11,12,14)
Definition date:	2018-04-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	~{N}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine

ESK

ESK
Name:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide
Formula:	C27 H28 Cl N5 O4
SMILES:	OC[CH](NC(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)c5ccccc5
InChi:	InChI=1S/C27H28ClN5O4/c28-22-13-29-27(30-20-8-10-37-11-9-20)32-25(22)18-6-7-19-14-33(26(36)21(19)12-18)15-24(35)31-23(16-34)17-4-2-1-3-5-17/h1-7,12-13,20,23,34H,8-11,14-16H2,(H,31,35)(H,29,30,32)/t23-/m1/s1
Definition date:	2018-04-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide

ESN

ESN
Name:	(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide
Formula:	C29 H32 Cl N5 O4
SMILES:	C[CH](N1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)C(=O)N[CH](CO)c5cccc(C)c5
InChi:	InChI=1S/C29H32ClN5O4/c1-17-4-3-5-19(12-17)25(16-36)33-27(37)18(2)35-15-21-7-6-20(13-23(21)28(35)38)26-24(30)14-31-29(34-26)32-22-8-10-39-11-9-22/h3-7,12-14,18,22,25,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t18-,25-/m1/s1
Definition date:	2018-04-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide

ESQ

ESQ
Name:	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one
Formula:	C23 H28 Cl N5 O3
SMILES:	Clc1cnc(NC2CCOCC2)nc1c3ccc4CN(CCN5CCOCC5)C(=O)c4c3
InChi:	InChI=1S/C23H28ClN5O3/c24-20-14-25-23(26-18-3-9-31-10-4-18)27-21(20)16-1-2-17-15-29(22(30)19(17)13-16)6-5-28-7-11-32-12-8-28/h1-2,13-14,18H,3-12,15H2,(H,25,26,27)
Definition date:	2018-04-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one

ESW

ESW
Name:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide
Formula:	C28 H30 Cl N5 O3
SMILES:	CC(C)(NC(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)c5ccccc5
InChi:	InChI=1S/C28H30ClN5O3/c1-28(2,20-6-4-3-5-7-20)33-24(35)17-34-16-19-9-8-18(14-22(19)26(34)36)25-23(29)15-30-27(32-25)31-21-10-12-37-13-11-21/h3-9,14-15,21H,10-13,16-17H2,1-2H3,(H,33,35)(H,30,31,32)
Definition date:	2018-04-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide

EU2

EU2
Name:	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one
Formula:	C17 H17 Cl N4 O2
SMILES:	Clc1cnc(NC2CCOCC2)nc1c3ccc4CNC(=O)c4c3
InChi:	InChI=1S/C17H17ClN4O2/c18-14-9-20-17(21-12-3-5-24-6-4-12)22-15(14)10-1-2-11-8-19-16(23)13(11)7-10/h1-2,7,9,12H,3-6,8H2,(H,19,23)(H,20,21,22)
Definition date:	2018-04-13
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one

EVK

EVK
Name:	4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide
Formula:	C21 H22 Cl2 N4 O2
SMILES:	CC(C)Nc1cc(c(Cl)cn1)c2c[nH]c(c2)C(=O)N[CH](CO)c3cccc(Cl)c3
InChi:	InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1
Definition date:	2018-04-25
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide

EVQ

EVQ
Name:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide
Formula:	C28 H30 Cl N5 O4
SMILES:	COc1cccc(c1)[CH](C)NC(=O)CN2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl
InChi:	InChI=1S/C28H30ClN5O4/c1-17(18-4-3-5-22(12-18)37-2)31-25(35)16-34-15-20-7-6-19(13-23(20)27(34)36)26-24(29)14-30-28(33-26)32-21-8-10-38-11-9-21/h3-7,12-14,17,21H,8-11,15-16H2,1-2H3,(H,31,35)(H,30,32,33)/t17-/m1/s1
Definition date:	2018-04-25
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide

F3V

F3V
Name:	1-aminopropan-2-one
Formula:	C3 H7 N O
SMILES:	NCC(=O)C
InChi:	InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
Definition date:	2018-02-26
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	1-aminopropan-2-one

F3Z

F3Z
Name:	(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide
Formula:	C33 H33 N9 O2
SMILES:	O=C(CN1CC[CH](C1)C(=O)Nc2ccc3[nH]nc(c4ccncc4)c3c2)N5CCN(CC5)c6ccc(cc6)c7ncccn7
InChi:	InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Definition date:	2018-05-24
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide

D8Q

D8Q
Name:	~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Formula:	C9 H13 N3 O2
SMILES:	CN1C=C(C=CC1=O)C(=O)NCCN
InChi:	InChI=1S/C9H13N3O2/c1-12-6-7(2-3-8(12)13)9(14)11-5-4-10/h2-3,6H,4-5,10H2,1H3,(H,11,14)
Definition date:	2018-01-10
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide

D9B

D9B
Name:	~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Formula:	C18 H20 N4 O4
SMILES:	CN(C)CCN1C(=O)Oc2ccc(NC(=O)C3=CN(C)C(=O)C=C3)cc12
InChi:	InChI=1S/C18H20N4O4/c1-20(2)8-9-22-14-10-13(5-6-15(14)26-18(22)25)19-17(24)12-4-7-16(23)21(3)11-12/h4-7,10-11H,8-9H2,1-3H3,(H,19,24)
Definition date:	2018-01-10
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide

D9K

D9K
Name:	~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
Formula:	C11 H16 N2 O2 S
SMILES:	Cc1ncccc1N[CH]2CCC[S](=O)(=O)C2
InChi:	InChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m0/s1
Definition date:	2018-01-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine

D9Q

D9Q
Name:	1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
Formula:	C13 H19 N3 O2
SMILES:	CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2
InChi:	InChI=1S/C13H19N3O2/c1-15-10-11(4-5-12(15)17)13(18)14-6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,14,18)
Definition date:	2018-01-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

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