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8MP

8MP
Name:	N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide
Formula:	C10 H20 N2 O4
SMILES:	C(C(NC1CNCC(C(C1O)O)O)=O)CC
InChi:	InChI=1S/C10H20N2O4/c1-2-3-8(14)12-6-4-11-5-7(13)10(16)9(6)15/h6-7,9-11,13,15-16H,2-5H2,1H3,(H,12,14)/t6-,7-,9+,10+/m0/s1
Definition date:	2017-02-17
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide

8QB

8QB
Name:	7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one
Formula:	C16 H19 N5 O2
SMILES:	O=C1NCCn2cc(cc12)c3ccnc(NC4CCOCC4)n3
InChi:	InChI=1S/C16H19N5O2/c22-15-14-9-11(10-21(14)6-5-17-15)13-1-4-18-16(20-13)19-12-2-7-23-8-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,17,22)(H,18,19,20)
Definition date:	2017-02-24
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one

8X2

8X2
Name:	2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Formula:	C22 H25 N7 O
SMILES:	CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4[nH]c5CCNC(=O)c5c4)cc2
InChi:	InChI=1S/C22H25N7O/c1-28-10-12-29(13-11-28)16-4-2-15(3-5-16)25-22-24-9-7-19(27-22)20-14-17-18(26-20)6-8-23-21(17)30/h2-5,7,9,14,26H,6,8,10-13H2,1H3,(H,23,30)(H,24,25,27)
Definition date:	2017-03-21
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

8X5

8X5
Name:	2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one
Formula:	C23 H25 N5 O2
SMILES:	O=C1N(CCc2[nH]c(cc12)c3ccnc(NC4CCOCC4)n3)Cc5ccccc5
InChi:	InChI=1S/C23H25N5O2/c29-22-18-14-21(20-6-10-24-23(27-20)25-17-8-12-30-13-9-17)26-19(18)7-11-28(22)15-16-4-2-1-3-5-16/h1-6,10,14,17,26H,7-9,11-13,15H2,(H,24,25,27)
Definition date:	2017-03-21
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one

8XB

8XB
Name:	(6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one
Formula:	C20 H25 N7 O2
SMILES:	COCCN1[CH](C)Cc2[nH]c(cc2C1=O)c3nc(Nc4ccnn4C)ncc3C
InChi:	InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m1/s1
Definition date:	2017-03-21
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	(6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one

8XE

8XE
Name:	5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one
Formula:	C18 H21 N7 O2
SMILES:	COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(Nc4ccnn4C)n3
InChi:	InChI=1S/C18H21N7O2/c1-24-16(4-7-20-24)23-18-19-6-3-14(22-18)15-11-12-13(21-15)5-8-25(17(12)26)9-10-27-2/h3-4,6-7,11,21H,5,8-10H2,1-2H3,(H,19,22,23)
Definition date:	2017-03-21
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one

8XH

8XH
Name:	5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one
Formula:	C19 H25 N5 O3
SMILES:	COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(NC4CCOCC4)n3
InChi:	InChI=1S/C19H25N5O3/c1-26-11-8-24-7-3-15-14(18(24)25)12-17(22-15)16-2-6-20-19(23-16)21-13-4-9-27-10-5-13/h2,6,12-13,22H,3-5,7-11H2,1H3,(H,20,21,23)
Definition date:	2017-03-21
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one

8XK

8XK
Name:	5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
Formula:	C19 H23 N7 O2
SMILES:	COCCN1CCc2n(C)c(cc2C1=O)c3ccnc(Nc4ccnn4C)n3
InChi:	InChI=1S/C19H23N7O2/c1-24-15-6-9-26(10-11-28-3)18(27)13(15)12-16(24)14-4-7-20-19(22-14)23-17-5-8-21-25(17)2/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,20,22,23)
Definition date:	2017-03-22
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one

8XN

8XN
Name:	(6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one
Formula:	C20 H25 N7 O2
SMILES:	COCCN1[CH](C)Cc2[nH]c(cc2C1=O)c3nc(Nc4ccnn4C)ncc3C
InChi:	InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m0/s1
Definition date:	2017-03-22
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	(6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one

F31

F31
Name:	1-(4-azanyl-3-methoxy-phenyl)ethanone
Formula:	C9 H11 N O2
SMILES:	COc1cc(ccc1N)C(C)=O
InChi:	InChI=1S/C9H11NO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,10H2,1-2H3
Definition date:	2016-12-20
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	1-(4-azanyl-3-methoxy-phenyl)ethanone

FYK

FYK
Name:	3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Formula:	C13 H12 Cl N O5
SMILES:	OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12
InChi:	InChI=1S/C13H12ClNO5/c14-8-5-9-11(6-10(8)19-7-1-2-7)20-13(18)15(9)4-3-12(16)17/h5-7H,1-4H2,(H,16,17)
Definition date:	2017-01-31
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	3-(5-chloranyl-6-cyclopropyloxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid

GF0

GF0
Name:	2'-deoxy-2'-fluoroguanosine
Formula:	C10 H12 F N5 O4
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3F
InChi:	InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
Definition date:	2016-11-14
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one

T0E

T0E
Name:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-5-yl)methyl]benzamide
Formula:	C24 H25 F N4 O4
SMILES:	O=C(NCc1ccnn1)c2c(F)ccc(c2)C5C(COc4cc3OCOc3cc4)CNCC5
InChi:	InChI=1S/C24H25FN4O4/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29)/t16-,19-/m0/s1
Definition date:	2017-01-25
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-5-yl)methyl]benzamide

7UU

7UU
Name:	~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
Formula:	C18 H18 N2 O3 S
SMILES:	CN(CCCNC1=CC(=O)Oc2ccccc12)C(=O)c3sccc3
InChi:	InChI=1S/C18H18N2O3S/c1-20(18(22)16-8-4-11-24-16)10-5-9-19-14-12-17(21)23-15-7-3-2-6-13(14)15/h2-4,6-8,11-12,19H,5,9-10H2,1H3
Definition date:	2016-12-28
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide

7XF

7XF
Name:	(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid
Formula:	C12 H19 N2 O7 P S
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCS)C(O)=O)c1O
InChi:	InChI=1S/C12H19N2O7PS/c1-7-11(15)9(5-14-10(2-3-23)12(16)17)8(4-13-7)6-21-22(18,19)20/h4,10,14-15,23H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1
Definition date:	2017-02-03
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid

85D

85D
Name:	(1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
Formula:	C10 H15 Br
SMILES:	C2C1C(C)(C)C(C1)C(CBr)=C2
InChi:	InChI=1S/C10H15Br/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-6H2,1-2H3/t8-,9-/m1/s1
Definition date:	2017-01-05
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	(1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

70G

70G
Name:	3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid
Formula:	C14 H18 O2
SMILES:	C(C(O)=O)CC2c1c(C)cccc1CCC2
InChi:	InChI=1S/C14H18O2/c1-10-4-2-5-11-6-3-7-12(14(10)11)8-9-13(15)16/h2,4-5,12H,3,6-9H2,1H3,(H,15,16)/t12-/m1/s1
Definition date:	2016-08-05
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid

70H

70H
Name:	(3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid
Formula:	C15 H14 O2
SMILES:	[C@H](CC(O)=O)=Cc2c1c(C)cccc1ccc2
InChi:	InChI=1S/C15H14O2/c1-11-5-2-6-12-7-3-8-13(15(11)12)9-4-10-14(16)17/h2-9H,10H2,1H3,(H,16,17)/b9-4+
Definition date:	2016-08-05
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	(3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid

73U

73U
Name:	5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
Formula:	C16 H17 N3 O3 S
SMILES:	c1cc(ccc1NC)c3ccc(c(N2S(NC(=O)C2)(=O)=O)c3)C
InChi:	InChI=1S/C16H17N3O3S/c1-11-3-4-13(12-5-7-14(17-2)8-6-12)9-15(11)19-10-16(20)18-23(19,21)22/h3-9,17H,10H2,1-2H3,(H,18,20)
Definition date:	2016-08-19
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione

74Q

74Q
Name:	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
Formula:	C22 H19 N9
SMILES:	Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)n5nnc6ccccc56
InChi:	InChI=1S/C22H19N9/c1-30-21(22(11-12-22)14-7-3-2-4-8-14)26-19(28-30)16-13-24-18(23)20(25-16)31-17-10-6-5-9-15(17)27-29-31/h2-10,13H,11-12H2,1H3,(H2,23,24)
Definition date:	2016-08-24
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine

7C3

7C3
Name:	6-azanyl-2-oxidanylidene-hexanoic acid
Formula:	C6 H11 N O3
SMILES:	NCCCCC(=O)C(O)=O
InChi:	InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)
Definition date:	2016-10-03
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	6-azanyl-2-oxidanylidene-hexanoic acid

7M6

7M6
Name:	7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
Formula:	C9 H10 Cl F N2 O2 S
SMILES:	FCCN1CN[S](=O)(=O)c2cc(Cl)ccc12
InChi:	InChI=1S/C9H10ClFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2
Definition date:	2016-11-18
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	7-chloranyl-4-(2-fluoranylethyl)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide

7MU

7MU
Name:	4-chloranyl-~{N}-methyl-pyridine-2-carboxamide
Formula:	C7 H7 Cl N2 O
SMILES:	CNC(=O)c1cc(Cl)ccn1
InChi:	InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
Definition date:	2016-11-21
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	4-chloranyl-~{N}-methyl-pyridine-2-carboxamide

7MW

7MW
Name:	methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Formula:	C9 H11 N O3
SMILES:	CCC(=O)c1c[nH]c(c1)C(=O)OC
InChi:	InChI=1S/C9H11NO3/c1-3-8(11)6-4-7(10-5-6)9(12)13-2/h4-5,10H,3H2,1-2H3
Definition date:	2016-11-21
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate

7MX

7MX
Name:	ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Formula:	C9 H10 Cl N O3
SMILES:	CCOC(=O)C1=CN(C)C(=O)C=C1Cl
InChi:	InChI=1S/C9H10ClNO3/c1-3-14-9(13)6-5-11(2)8(12)4-7(6)10/h4-5H,3H2,1-2H3
Definition date:	2016-11-21
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate

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