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G3V

G3V
Name:	N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid
Formula:	C20 H22 N8 O6
SMILES:	c1(N)nc(c2c(n1)ncc(n2)CN(CO)c3ccc(cc3)C(NC(CCC(O)=O)C(O)=O)=O)N
InChi:	InChI=1S/C20H22N8O6/c21-16-15-17(27-20(22)26-16)23-7-11(24-15)8-28(9-29)12-3-1-10(2-4-12)18(32)25-13(19(33)34)5-6-14(30)31/h1-4,7,13,29H,5-6,8-9H2,(H,25,32)(H,30,31)(H,33,34)(H4,21,22,23,26,27)/t13-/m0/s1
Definition date:	2018-05-04
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid

DD5

DD5
Name:	(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
Formula:	C22 H29 F2 N3 O4
SMILES:	O[CH](CN1CCOCC1)Cn2ccc(n2)c3ccc(OC(F)F)c(OC4CCCC4)c3
InChi:	InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1
Definition date:	2018-01-11
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol

DQZ

DQZ
Name:	3-(4-bromophenyl)propanoic acid
Formula:	C9 H9 Br O2
SMILES:	OC(=O)CCc1ccc(Br)cc1
InChi:	InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
Definition date:	2018-01-26
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	3-(4-bromophenyl)propanoic acid

9GH

9GH
Name:	2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
Formula:	C16 H16 I N3 O3 S
SMILES:	CCN(CC)c1sc2c(n1)c(C(O)=O)c(O)c(I)c2n3cccc3
InChi:	InChI=1S/C16H16IN3O3S/c1-3-19(4-2)16-18-11-9(15(22)23)13(21)10(17)12(14(11)24-16)20-7-5-6-8-20/h5-8,21H,3-4H2,1-2H3,(H,22,23)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid

9GK

9GK
Name:	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid
Formula:	C19 H16 I N O4
SMILES:	OC(=O)c1cc(OCCc2ccccc2)c(n3cccc3)c(I)c1O
InChi:	InChI=1S/C19H16INO4/c20-16-17(21-9-4-5-10-21)15(12-14(18(16)22)19(23)24)25-11-8-13-6-2-1-3-7-13/h1-7,9-10,12,22H,8,11H2,(H,23,24)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid

9GN

9GN
Name:	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H14 I N O3 S
SMILES:	CCCSc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C14H14INO3S/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid

9GQ

9GQ
Name:	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C15 H16 I N O4
SMILES:	CCCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C15H16INO4/c1-2-3-8-21-11-9-10(15(19)20)14(18)12(16)13(11)17-6-4-5-7-17/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid

9GT

9GT
Name:	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H12 I N O4
SMILES:	OC(=O)c1cc(OCC=C)c(n2cccc2)c(I)c1O
InChi:	InChI=1S/C14H12INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h2-6,8,17H,1,7H2,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid

9GW

9GW
Name:	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H14 I N O4
SMILES:	CCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C14H14INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid

9GZ

9GZ
Name:	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C17 H11 F I N O3
SMILES:	OC(=O)c1cc(c2ccc(F)cc2)c(n3cccc3)c(I)c1O
InChi:	InChI=1S/C17H11FINO3/c18-11-5-3-10(4-6-11)12-9-13(17(22)23)16(21)14(19)15(12)20-7-1-2-8-20/h1-9,21H,(H,22,23)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid

9H2

9H2
Name:	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol
Formula:	C11 H9 I2 N O2
SMILES:	OCc1cc(I)c(n2cccc2)c(I)c1O
InChi:	InChI=1S/C11H9I2NO2/c12-8-5-7(6-15)11(16)9(13)10(8)14-3-1-2-4-14/h1-5,15-16H,6H2
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol

9K4

9K4
Name:	2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide
Formula:	C32 H52 F3 N5 O9
SMILES:	C(Cc1c(cc(c(F)c1)F)F)(N)CC(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(C)=O)CC2
InChi:	InChI=1S/C32H52F3N5O9/c1-25(41)37-2-8-44-10-12-46-14-16-48-18-19-49-17-15-47-13-11-45-9-3-38-31(42)24-39-4-6-40(7-5-39)32(43)22-27(36)20-26-21-29(34)30(35)23-28(26)33/h21,23,27H,2-20,22,24,36H2,1H3,(H,37,41)(H,38,42)/t27-/m1/s1
Definition date:	2017-05-17
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide

9QV

9QV
Name:	uridine 2',5'-bis(dihydrogen phosphate)
Formula:	C9 H14 N2 O12 P2
SMILES:	O(P(O)(=O)O)CC1C(C(C(O1)N2C=CC(=O)NC2=O)OP(O)(O)=O)O
InChi:	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-7(23-25(18,19)20)6(13)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
Definition date:	2017-05-31
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	uridine 2',5'-bis(dihydrogen phosphate)

M5T

M5T
Name:	5-Methyluridine triphosphate
Formula:	C10 H17 N2 O15 P3
SMILES:	C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)C2C(C(C(N1C=C(C)C(NC1=O)=O)O2)O)O
InChi:	InChI=1S/C10H17N2O15P3/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
Definition date:	2016-09-28
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-methyluridine 5'-(tetrahydrogen triphosphate)

N45

N45
Name:	6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
Formula:	C17 H20 N6 O2
SMILES:	O=C3C1=C(C)C=C(C(N1C2(CCCCC2)N3)=O)Nc4ncnc(c4)N
InChi:	InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)
Definition date:	2018-03-02
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

8FY

8FY
Name:	N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula:	C21 H18 N8
SMILES:	c2(c1c(cnc1nc(NC)n2)c4ccc3ncccc3c4)NCc5ncccn5
InChi:	InChI=1S/C21H18N8/c1-22-21-28-19-18(20(29-21)27-12-17-24-8-3-9-25-17)15(11-26-19)13-5-6-16-14(10-13)4-2-7-23-16/h2-11H,12H2,1H3,(H3,22,26,27,28,29)
Definition date:	2017-02-03
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

B6J

B6J
Name:	3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol
Formula:	C18 H14 N6 O2
SMILES:	c1c(cccc1c4c(c2cccc(O)c2)nc3c(c(nc(n3)N)N)n4)O
InChi:	InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)
Definition date:	2017-08-02
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol

ET8

ET8
Name:	3-phenyl-5-(pyridin-4-yl)-1H-indazole
Formula:	C18 H13 N3
SMILES:	c4cc(c2cc1c(nnc1cc2)c3ccccc3)ccn4
InChi:	InChI=1S/C18H13N3/c1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13/h1-12H,(H,20,21)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-phenyl-5-(pyridin-4-yl)-1H-indazole

F4A

F4A
Name:	4-[(9H-purin-6-yl)amino]benzamide
Formula:	C12 H10 N6 O
SMILES:	O=C(N)c1ccc(cc1)Nc2ncnc3c2ncn3
InChi:	InChI=1S/C12H10N6O/c13-10(19)7-1-3-8(4-2-7)18-12-9-11(15-5-14-9)16-6-17-12/h1-6H,(H2,13,19)(H2,14,15,16,17,18)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	4-[(9H-purin-6-yl)amino]benzamide

F4G

F4G
Name:	3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide
Formula:	C13 H10 N4 O
SMILES:	O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3
InChi:	InChI=1S/C13H10N4O/c14-12(18)10-4-2-6-17-11(8-16-13(10)17)9-3-1-5-15-7-9/h1-8H,(H2,14,18)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide

F4J

F4J
Name:	5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one
Formula:	C13 H8 N6 O
SMILES:	O=C1c2c(C=N1)cc(cc2)Nc3c4ncnc4ncn3
InChi:	InChI=1S/C13H8N6O/c20-13-9-2-1-8(3-7(9)4-14-13)19-12-10-11(16-5-15-10)17-6-18-12/h1-6H,(H2,15,16,17,18,19)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one

F67

F67
Name:	(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one
Formula:	C13 H12 N4 O
SMILES:	O=C1c2c(C(N1)C)cc(cc2)Nc3ccncn3
InChi:	InChI=1S/C13H12N4O/c1-8-11-6-9(2-3-10(11)13(18)16-8)17-12-4-5-14-7-15-12/h2-8H,1H3,(H,16,18)(H,14,15,17)/t8-/m1/s1
Definition date:	2018-03-02
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one

AV5

AV5
Name:	2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Formula:	C20 H14 Cl N3 O3
SMILES:	CC1=Nc2c(nc3ccccc3c2C(=O)N1CC(O)=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C20H14ClN3O3/c1-11-22-19-17(20(27)24(11)10-16(25)26)14-4-2-3-5-15(14)23-18(19)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3,(H,25,26)
Definition date:	2017-08-23
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid

AW8

AW8
Name:	2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Formula:	C20 H15 Cl F N3 O3
SMILES:	CC1=Nc2c(nc3ccc(F)cc3c2[CH](O)N1CC(O)=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C20H15ClFN3O3/c1-10-23-19-17(20(28)25(10)9-16(26)27)14-8-13(22)6-7-15(14)24-18(19)11-2-4-12(21)5-3-11/h2-8,20,28H,9H2,1H3,(H,26,27)/t20-/m1/s1
Definition date:	2017-08-24
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid

FYV

FYV
Name:	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine
Formula:	C11 H8 N4
SMILES:	c1cc(ccn1)c2n3c(nc2)cccn3
InChi:	InChI=1S/C11H8N4/c1-2-11-13-8-10(15(11)14-5-1)9-3-6-12-7-4-9/h1-8H
Definition date:	2018-04-26
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine

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