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77G

77G
Name:	N-[5-(6-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Formula:	C23 H23 F N6 O3
SMILES:	n1cn(c2c1c(N)ncn2)CCCCCNC(=O)c3c(c(cc(c3)c4ccc(cc4)F)O)O
InChi:	InChI=1S/C23H23FN6O3/c24-16-6-4-14(5-7-16)15-10-17(20(32)18(31)11-15)23(33)26-8-2-1-3-9-30-13-29-19-21(25)27-12-28-22(19)30/h4-7,10-13,31-32H,1-3,8-9H2,(H,26,33)(H2,25,27,28)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	N-[5-(6-amino-9H-purin-9-yl)pentyl]-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide

77H

77H
Name:	N-[5-(2-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Formula:	C23 H23 F N6 O3
SMILES:	n1cn(c2c1cnc(n2)N)CCCCCNC(c4c(c(cc(c3ccc(F)cc3)c4)O)O)=O
InChi:	InChI=1S/C23H23FN6O3/c24-16-6-4-14(5-7-16)15-10-17(20(32)19(31)11-15)22(33)26-8-2-1-3-9-30-13-28-18-12-27-23(25)29-21(18)30/h4-7,10-13,31-32H,1-3,8-9H2,(H,26,33)(H2,25,27,29)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	N-[5-(2-amino-9H-purin-9-yl)pentyl]-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide

77K

77K
Name:	5-(4-fluorophenyl)-2,3-dihydroxy-N-[(1-methylimidazol-4-yl)methyl]benzamide
Formula:	C18 H16 F N3 O3
SMILES:	c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCc3ncn(C)c3)O)O
InChi:	InChI=1S/C18H16FN3O3/c1-22-9-14(21-10-22)8-20-18(25)15-6-12(7-16(23)17(15)24)11-2-4-13(19)5-3-11/h2-7,9-10,23-24H,8H2,1H3,(H,20,25)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	4'-fluoro-4,5-dihydroxy-N-[(1-methyl-1H-imidazol-4-yl)methyl][1,1'-biphenyl]-3-carboxamide

77L

77L
Name:	5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl)benzamide
Formula:	C15 H14 F N O4
SMILES:	c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCCO)O)O
InChi:	InChI=1S/C15H14FNO4/c16-11-3-1-9(2-4-11)10-7-12(14(20)13(19)8-10)15(21)17-5-6-18/h1-4,7-8,18-20H,5-6H2,(H,17,21)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	4'-fluoro-4,5-dihydroxy-N-(2-hydroxyethyl)[1,1'-biphenyl]-3-carboxamide

77M

77M
Name:	N-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Formula:	C23 H20 F N O6 S
SMILES:	c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCCSCC(c3cc(c(cc3)O)O)=O)O)O
InChi:	InChI=1S/C23H20FNO6S/c24-16-4-1-13(2-5-16)15-9-17(22(30)20(28)11-15)23(31)25-7-8-32-12-21(29)14-3-6-18(26)19(27)10-14/h1-6,9-11,26-28,30H,7-8,12H2,(H,25,31)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	N-(2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide

77N

77N
Name:	N-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Formula:	C22 H21 F N6 O4
SMILES:	n1cn(c2c1c(ncn2)N)CCOCCNC(c3c(c(cc(c3)c4ccc(F)cc4)O)O)=O
InChi:	InChI=1S/C22H21FN6O4/c23-15-3-1-13(2-4-15)14-9-16(19(31)17(30)10-14)22(32)25-5-7-33-8-6-29-12-28-18-20(24)26-11-27-21(18)29/h1-4,9-12,30-31H,5-8H2,(H,25,32)(H2,24,26,27)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	N-{2-[2-(6-amino-9H-purin-9-yl)ethoxy]ethyl}-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide

77P

77P
Name:	N-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide
Formula:	C20 H17 F N4 O5
SMILES:	c1c(ccc(F)c1)c2cc(c(c(c2)C(=O)NCCNC(c3cc(O)ncn3)=O)O)O
InChi:	InChI=1S/C20H17FN4O5/c21-13-3-1-11(2-4-13)12-7-14(18(28)16(26)8-12)19(29)22-5-6-23-20(30)15-9-17(27)25-10-24-15/h1-4,7-10,26,28H,5-6H2,(H,22,29)(H,23,30)(H,24,25,27)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	N-{2-[(4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carbonyl)amino]ethyl}-6-hydroxypyrimidine-4-carboxamide

77Q

77Q
Name:	5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide
Formula:	C25 H24 F N3 O3
SMILES:	C(c2cc(c1ccc(F)cc1)cc(c2O)O)(=O)NCCCCCn4ccc3c4ccnc3
InChi:	InChI=1S/C25H24FN3O3/c26-20-6-4-17(5-7-20)19-14-21(24(31)23(30)15-19)25(32)28-10-2-1-3-12-29-13-9-18-16-27-11-8-22(18)29/h4-9,11,13-16,30-31H,1-3,10,12H2,(H,28,32)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	4'-fluoro-4,5-dihydroxy-N-[5-(1H-pyrrolo[3,2-c]pyridin-1-yl)pentyl][1,1'-biphenyl]-3-carboxamide

77R

77R
Name:	5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-imidazol-1-ylpentyl)benzamide
Formula:	C21 H22 F N3 O3
SMILES:	C(c2cc(c1ccc(F)cc1)cc(c2O)O)(=O)NCCCCCn3cncc3
InChi:	InChI=1S/C21H22FN3O3/c22-17-6-4-15(5-7-17)16-12-18(20(27)19(26)13-16)21(28)24-8-2-1-3-10-25-11-9-23-14-25/h4-7,9,11-14,26-27H,1-3,8,10H2,(H,24,28)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	4'-fluoro-4,5-dihydroxy-N-[5-(1H-imidazol-1-yl)pentyl][1,1'-biphenyl]-3-carboxamide

77S

77S
Name:	N-[2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Formula:	C24 H21 F N4 O3
SMILES:	c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCCc3nnc(n3)Cc4ccccc4)O)O
InChi:	InChI=1S/C24H21FN4O3/c25-18-8-6-16(7-9-18)17-13-19(23(31)20(30)14-17)24(32)26-11-10-21-27-22(29-28-21)12-15-4-2-1-3-5-15/h1-9,13-14,30-31H,10-12H2,(H,26,32)(H,27,28,29)
Definition date:	2016-09-08
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	N-[2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide

7HR

7HR
Name:	~{N}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{N}-methyl-1,3-thiazol-2-amine
Formula:	C29 H37 F N6 O2 S2
SMILES:	CCc1nc2ccc(cn2c1N(C)c3scc(n3)c4ccc(F)cc4)C5CCN(CC5)[S](=O)(=O)CCCN(C)C
InChi:	InChI=1S/C29H37FN6O2S2/c1-5-25-28(34(4)29-32-26(20-39-29)22-7-10-24(30)11-8-22)36-19-23(9-12-27(36)31-25)21-13-16-35(17-14-21)40(37,38)18-6-15-33(2)3/h7-12,19-21H,5-6,13-18H2,1-4H3
Definition date:	2016-10-28
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	~{N}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{N}-methyl-1,3-thiazol-2-amine

7NB

7NB
Name:	2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
Formula:	C30 H33 F N8 O2 S
SMILES:	CCc1nc2n(cc(cc2C)N3CCN(CC3)CC(=O)N4CC(O)C4)c1N(C)c5sc(C#N)c(n5)c6ccc(F)cc6
InChi:	InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
Definition date:	2016-11-25
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

7Q1

7Q1
Name:	(5R)-5-phenyl-1,3-oxazolidine-2,4-dione
Formula:	C9 H7 N O3
SMILES:	c1ccc(cc1)C2OC(NC2=O)=O
InChi:	InChI=1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1
Definition date:	2016-11-29
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-phenyl-1,3-oxazolidine-2,4-dione

7QS

7QS
Name:	(5R)-5-phenyl-1,3-thiazolidine-2,4-dione
Formula:	C9 H7 N O2 S
SMILES:	c1ccc(cc1)C2C(NC(=O)S2)=O
InChi:	InChI=1S/C9H7NO2S/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-phenyl-1,3-thiazolidine-2,4-dione

7QV

7QV
Name:	(5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione
Formula:	C11 H11 N O5
SMILES:	c2c(C1C(NC(O1)=O)=O)c(cc(c2)OC)OC
InChi:	InChI=1S/C11H11NO5/c1-15-6-3-4-7(8(5-6)16-2)9-10(13)12-11(14)17-9/h3-5,9H,1-2H3,(H,12,13,14)/t9-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione

7QY

7QY
Name:	(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:	C12 H13 N O4 S
SMILES:	c1cc(cc(c1CC2C(NC(S2)=O)=O)OC)OC
InChi:	InChI=1S/C12H13NO4S/c1-16-8-4-3-7(9(6-8)17-2)5-10-11(14)13-12(15)18-10/h3-4,6,10H,5H2,1-2H3,(H,13,14,15)/t10-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

7R1

7R1
Name:	(5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C12 H13 N O3 S2
SMILES:	c1cc(cc(c1CC2C(NC(=S)S2)=O)OC)OC
InChi:	InChI=1S/C12H13NO3S2/c1-15-8-4-3-7(9(6-8)16-2)5-10-11(14)13-12(17)18-10/h3-4,6,10H,5H2,1-2H3,(H,13,14,17)/t10-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

7R4

7R4
Name:	(5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C10 H9 N O S2
SMILES:	c1ccc(cc1)CC2C(NC(=S)S2)=O
InChi:	InChI=1S/C10H9NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one

7R7

7R7
Name:	(5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
Formula:	C11 H11 N O4 S
SMILES:	c2c(C1C(NC(O1)=S)=O)c(cc(c2)OC)OC
InChi:	InChI=1S/C11H11NO4S/c1-14-6-3-4-7(8(5-6)15-2)9-10(13)12-11(17)16-9/h3-5,9H,1-2H3,(H,12,13,17)/t9-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one

7SD

7SD
Name:	N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide
Formula:	C23 H25 N7 O
SMILES:	Cc1c(c(C)nc(c1)N)CNC(c4cnn(Cc3ccc(Cn2nccc2)cc3)c4)=O
InChi:	InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)21(16)12-25-23(31)20-11-27-30(15-20)14-19-6-4-18(5-7-19)13-29-9-3-8-26-29/h3-11,15H,12-14H2,1-2H3,(H2,24,28)(H,25,31)
Definition date:	2016-12-03
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide

83G

83G
Name:	1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
Formula:	C22 H22 N4 O4
SMILES:	C(N1CCN(CC1C)C(=O)c2ccccc2)(C(c3cnc4c3c(ccn4)OC)=O)=O
InChi:	InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1
Definition date:	2016-12-21
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione

83J

83J
Name:	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
Formula:	C24 H23 N7 O4
SMILES:	C1CN(CCN1C(c2ccccc2)=O)C(=O)C(c5c4c(c(n3cnc(C)n3)ncc4OC)nc5)=O
InChi:	InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3
Definition date:	2016-12-21
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

8M9

8M9
Name:	4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
Formula:	C14 H15 Cl N6 O
SMILES:	COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc23)c1C
InChi:	InChI=1S/C14H15ClN6O/c1-7-4-17-10(8(2)11(7)22-3)6-21-13-9(5-18-21)12(15)19-14(16)20-13/h4-5H,6H2,1-3H3,(H2,16,19,20)
Definition date:	2017-08-04
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine

8MF

8MF
Name:	1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
Formula:	C13 H9 Br Cl N5 O2
SMILES:	Nc1nc(Cl)c2cnn(Cc3cc4OCOc4cc3Br)c2n1
InChi:	InChI=1S/C13H9BrClN5O2/c14-8-2-10-9(21-5-22-10)1-6(8)4-20-12-7(3-17-20)11(15)18-13(16)19-12/h1-3H,4-5H2,(H2,16,18,19)
Definition date:	2017-08-04
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine

UUA

UUA
Name:	uridine uronic acid
Formula:	C9 H10 N2 O7
SMILES:	O[CH]1[CH](O)[CH](O[CH]1N2C=CC(=O)NC2=O)C(O)=O
InChi:	InChI=1S/C9H10N2O7/c12-3-1-2-11(9(17)10-3)7-5(14)4(13)6(18-7)8(15)16/h1-2,4-7,13-14H,(H,15,16)(H,10,12,17)/t4-,5+,6-,7+/m0/s1
Definition date:	2017-08-05
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolane-2-carboxylic acid

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224004

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