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1MD

1MD
Name:	2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
Formula:	C19 H20 Cl2 N4 O2
SMILES:	Clc3ccc(c1c2C(=O)N(Cc2nc(c1CN)C)CC(=O)N(C)C)c(Cl)c3
InChi:	InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-14(12)21)18-15(23-10)8-25(19(18)27)9-16(26)24(2)3/h4-6H,7-9,22H2,1-3H3
Definition date:	2013-03-27
Last modified:	2013-08-30
Release date:	2013-09-04
Identifier:	2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide

1WH

1WH
Name:	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Formula:	C18 H19 Cl2 N3 O2
SMILES:	Clc3ccc(c1c2C(=O)N(Cc2nc(c1CN)C)CCOC)c(Cl)c3
InChi:	InChI=1S/C18H19Cl2N3O2/c1-10-13(8-21)16(12-4-3-11(19)7-14(12)20)17-15(22-10)9-23(18(17)24)5-6-25-2/h3-4,7H,5-6,8-9,21H2,1-2H3
Definition date:	2013-07-09
Last modified:	2013-08-30
Release date:	2013-09-04
Identifier:	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

10N

10N
Name:	N-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide
Formula:	C22 H20 N6 O2 S
SMILES:	O=S(=O)(N(c1ncccc1CNc2c(C#N)cnc4c2cc(c3ccccc3)n4)C)C
InChi:	InChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27)
Definition date:	2012-09-23
Last modified:	2013-08-30
Release date:	2013-09-04
Identifier:	N-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide

G79

G79
Name:	(3aR,3bR,4S,7aR,8aS)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Formula:	C32 H44 N2 O8 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2CCCC3OC4OCCC4C23)Cc5ccccc5
InChi:	InChI=1S/C32H44N2O8S/c1-21(2)19-34(43(37,38)24-14-12-23(39-3)13-15-24)20-27(35)26(18-22-8-5-4-6-9-22)33-32(36)42-29-11-7-10-28-30(29)25-16-17-40-31(25)41-28/h4-6,8-9,12-15,21,25-31,35H,7,10-11,16-20H2,1-3H3,(H,33,36)/t25-,26+,27-,28-,29+,30-,31+/m1/s1
Definition date:	2013-04-26
Last modified:	2013-08-30
Release date:	2013-09-04
Identifier:	(3aR,3bR,4S,7aR,8aS)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate

1XW

1XW
Name:	(1aS,4S,6aR,7aS)-octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid
Formula:	C9 H14 N2 O2
SMILES:	O=C(O)C3NCC1N(C2C(C1)C2)C3
InChi:	InChI=1S/C9H14N2O2/c12-9(13)7-4-11-6(3-10-7)1-5-2-8(5)11/h5-8,10H,1-4H2,(H,12,13)/t5-,6-,7+,8+/m1/s1
Definition date:	2013-07-30
Last modified:	2013-08-23
Release date:	2013-08-28
Identifier:	(1aS,4S,6aR,7aS)-octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid

1Y0

1Y0
Name:	(4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide
Formula:	C30 H43 N5 O4
SMILES:	O=C(NC(C(=O)N3CC2N(C1CC1C2)CC3C(=O)NC4c5c(OCC4)cccc5)C6CCCCC6)C(NC)C
InChi:	InChI=1S/C30H43N5O4/c1-18(31-2)28(36)33-27(19-8-4-3-5-9-19)30(38)35-16-21-14-20-15-24(20)34(21)17-25(35)29(37)32-23-12-13-39-26-11-7-6-10-22(23)26/h6-7,10-11,18-21,23-25,27,31H,3-5,8-9,12-17H2,1-2H3,(H,32,37)(H,33,36)/t18-,20+,21+,23+,24-,25-,27-/m0/s1
Definition date:	2013-07-30
Last modified:	2013-08-23
Release date:	2013-08-28
Identifier:	(1aS,4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide

B0S

B0S
Name:	tridecylboronic acid
Formula:	C13 H29 B O2
SMILES:	OB(O)CCCCCCCCCCCCC
InChi:	InChI=1S/C13H29BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h15-16H,2-13H2,1H3
Definition date:	2013-08-09
Last modified:	2013-08-23
Release date:	2013-08-28
Identifier:	tridecylboronic acid

G5K

G5K
Name:	1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one
Formula:	C22 H26 N8 O2 S
SMILES:	O=C(C=C)N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s2)CN4CCOCC4)C5
InChi:	InChI=1S/C22H26N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h2-4,6,12,15H,1,5,7-11,13-14H2,(H2,24,25,26,27,28)/t15-/m0/s1
Definition date:	2013-05-03
Last modified:	2013-08-16
Release date:	2013-08-21
Identifier:	1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one

G6K

G6K
Name:	1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one
Formula:	C22 H28 N8 O2 S
SMILES:	O=C(N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s2)CN4CCOCC4)C5)CC
InChi:	InChI=1S/C22H28N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h3-4,6,12,15H,2,5,7-11,13-14H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
Definition date:	2013-05-03
Last modified:	2013-08-16
Release date:	2013-08-21
Identifier:	1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one

1N3

1N3
Name:	1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide
Formula:	C21 H25 Br N6 O2
SMILES:	O=C(NCCCNc3c(Br)cnc2c3nc(c1ccc(OC)cc1)n2)C4(CN)CC4
InChi:	InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28)
Definition date:	2011-12-17
Last modified:	2013-08-09
Release date:	2013-08-14
Identifier:	1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide

0LQ

0LQ
Name:	(4aS,7aS)-1,4-bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione
Formula:	C32 H29 N3 O2
SMILES:	O=C1C(=O)N(C4CNCC4N1C(c2ccccc2)c3ccccc3)C(c5ccccc5)c6ccccc6
InChi:	InChI=1S/C32H29N3O2/c36-31-32(37)35(30(25-17-9-3-10-18-25)26-19-11-4-12-20-26)28-22-33-21-27(28)34(31)29(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-30,33H,21-22H2/t27-,28-/m0/s1
Definition date:	2012-08-16
Last modified:	2013-07-26
Release date:	2013-07-31
Identifier:	(4aS,7aS)-1,4-bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione

DWW

DWW
Name:	[2-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
Formula:	C21 H20 B Cl2 N3 O3 S
SMILES:	Clc1ccc(cc1Cl)C=C2/SC(=NC2=O)N4CCN(Cc3ccccc3B(O)O)CC4
InChi:	InChI=1S/C21H20BCl2N3O3S/c23-17-6-5-14(11-18(17)24)12-19-20(28)25-21(31-19)27-9-7-26(8-10-27)13-15-3-1-2-4-16(15)22(29)30/h1-6,11-12,29-30H,7-10,13H2/b19-12-
Definition date:	2013-05-16
Last modified:	2013-07-26
Release date:	2013-07-31
Identifier:	[2-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid

DWX

DWX
Name:	[3-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
Formula:	C21 H20 B Cl2 N3 O3 S
SMILES:	Clc1ccc(cc1Cl)C=C2/SC(=NC2=O)N4CCN(Cc3cccc(B(O)O)c3)CC4
InChi:	InChI=1S/C21H20BCl2N3O3S/c23-17-5-4-14(11-18(17)24)12-19-20(28)25-21(31-19)27-8-6-26(7-9-27)13-15-2-1-3-16(10-15)22(29)30/h1-5,10-12,29-30H,6-9,13H2/b19-12-
Definition date:	2013-05-16
Last modified:	2013-07-26
Release date:	2013-07-31
Identifier:	[3-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid

DWY

DWY
Name:	[4-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
Formula:	C21 H20 B Cl2 N3 O3 S
SMILES:	Clc1ccc(cc1Cl)C=C2/SC(=NC2=O)N4CCN(Cc3ccc(B(O)O)cc3)CC4
InChi:	InChI=1S/C21H20BCl2N3O3S/c23-17-6-3-15(11-18(17)24)12-19-20(28)25-21(31-19)27-9-7-26(8-10-27)13-14-1-4-16(5-2-14)22(29)30/h1-6,11-12,29-30H,7-10,13H2/b19-12-
Definition date:	2013-05-16
Last modified:	2013-07-26
Release date:	2013-07-31
Identifier:	[4-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid

4JP

4JP
Name:	1H-pyrrolo[3,2-b]pyridine
Formula:	C7 H6 N2
SMILES:	n1cccc2c1ccn2
InChi:	InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H
Definition date:	2013-03-21
Last modified:	2013-07-26
Release date:	2013-07-31
Identifier:	1H-pyrrolo[3,2-b]pyridine

G07

G07
Name:	4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid
Formula:	C28 H36 N2 O9 S
SMILES:	O=C(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4
InChi:	InChI=1S/C28H36N2O9S/c1-18(2)15-30(40(35,36)21-10-8-20(9-11-21)26(32)33)16-24(31)23(14-19-6-4-3-5-7-19)29-28(34)39-25-17-38-27-22(25)12-13-37-27/h3-11,18,22-25,27,31H,12-17H2,1-2H3,(H,29,34)(H,32,33)/t22-,23-,24+,25-,27+/m0/s1
Definition date:	2012-12-13
Last modified:	2013-07-19
Release date:	2013-07-24
Identifier:	4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid

G08

G08
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Formula:	C28 H37 N3 O8 S
SMILES:	O=C(N)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4
InChi:	InChI=1S/C28H37N3O8S/c1-18(2)15-31(40(35,36)21-10-8-20(9-11-21)26(29)33)16-24(32)23(14-19-6-4-3-5-7-19)30-28(34)39-25-17-38-27-22(25)12-13-37-27/h3-11,18,22-25,27,32H,12-17H2,1-2H3,(H2,29,33)(H,30,34)/t22-,23-,24+,25-,27+/m0/s1
Definition date:	2012-12-18
Last modified:	2013-07-19
Release date:	2013-07-24
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

3DK

3DK
Name:	3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Formula:	C21 H16 F2 N6
SMILES:	Fc1cc(c(F)cc1)Cn2ncc(c2)c5c4cc(c3cn(nc3)C)cnc4nc5
InChi:	InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25)
Definition date:	2013-03-28
Last modified:	2013-07-12
Release date:	2013-07-17
Identifier:	3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

1NZ

1NZ
Name:	6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one
Formula:	C28 H14 F6 N4 O3
SMILES:	Fc1cc(F)cc(F)c1CN6C=NC(=O)c5cc(Oc4cccc(c2nc3ncccc3o2)c4C(F)(F)F)ccc56
InChi:	InChI=1S/C28H14F6N4O3/c29-14-9-19(30)18(20(31)10-14)12-38-13-36-26(39)17-11-15(6-7-21(17)38)40-22-4-1-3-16(24(22)28(32,33)34)27-37-25-23(41-27)5-2-8-35-25/h1-11,13H,12H2
Definition date:	2013-04-08
Last modified:	2013-06-28
Release date:	2013-07-03
Identifier:	6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one

IE8

IE8
Name:	5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
Formula:	C24 H20 N4 O2
SMILES:	n2cc(OC(c1ccccc1)CN)cc(c2c3ccoc3)c5c4cccnc4nc5
InChi:	InChI=1S/C24H20N4O2/c25-12-22(16-5-2-1-3-6-16)30-18-11-20(23(27-13-18)17-8-10-29-15-17)21-14-28-24-19(21)7-4-9-26-24/h1-11,13-15,22H,12,25H2,(H,26,28)/t22-/m0/s1
Definition date:	2013-04-10
Last modified:	2013-06-28
Release date:	2013-07-03
Identifier:	(2R)-2-{[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-yl]oxy}-2-phenylethanamine

Z2M

Z2M
Name:	3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine
Formula:	C13 H11 N3 O
SMILES:	n3c(c2c(c1occc1)ccnc2n3)C4CC4
InChi:	InChI=1S/C13H11N3O/c1-2-10(17-7-1)9-5-6-14-13-11(9)12(15-16-13)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,15,16)
Definition date:	2012-10-08
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine

SR7

SR7
Name:	N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
Formula:	C25 H23 N7 O S
SMILES:	O=C(c1nc2c(nc1)cccc2)Nc6c(c3nc4scc(n4c3)CN5CCNCC5)cccc6
InChi:	InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
Definition date:	2013-05-14
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide

1HT

1HT
Name:	(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate
Formula:	C38 H56 O13
SMILES:	O=C3OC2C1=C(C(OC(=O)/C(=C/C)C)C(OC(=O)CCCCCCC)C1C(OC(=O)C)(CC(OC(=O)CCC)C2(OC(=O)CCC)C3(O)C)C)C
InChi:	InChI=1S/C38H56O13/c1-10-14-15-16-17-20-27(41)47-32-30-29(23(6)31(32)48-34(43)22(5)13-4)33-38(51-28(42)19-12-3,37(9,45)35(44)49-33)25(46-26(40)18-11-2)21-36(30,8)50-24(7)39/h13,25,30-33,45H,10-12,14-21H2,1-9H3/t25-,30+,31-,32-,33-,36-,37+,38+/m0/s1
Definition date:	2013-02-07
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate

0UE

0UE
Name:	Ferrioxamine B
Formula:	C25 H45 Fe N6 O8
SMILES:	O=C2NCCCCCN5O[Fe]314(ON(C(=O1)CC2)CCCCCNC(=O)CCC(=O3)N(O4)CCCCCN)O=C5C
InChi:	InChI=1S/C25H45N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26
Definition date:	2012-06-15
Last modified:	2013-06-07
Release date:	2013-06-12
Identifier:	[N-(5-aminopentyl)-N-(hydroxy-kappaO)-N'-{5-[(hydroxy-kappaO){4-[(5-{(hydroxy-kappaO)[1-(oxo-kappaO)ethyl]amino}pentyl)amino]-4-oxo-1-(oxo-kappaO)butyl}amino]pentyl}butanediamidato(3-)-kappaO~1~]iron

Q22

Q22
Name:	(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol
Formula:	C21 H19 N7 O
SMILES:	Oc1cc2c(cc1)N(C3C=CCC=C3C=C2)Cc4nc5c(nc4)nc(nc5N)N
InChi:	InChI=1S/C21H19N7O/c22-19-18-20(27-21(23)26-19)24-10-14(25-18)11-28-16-4-2-1-3-12(16)5-6-13-9-15(29)7-8-17(13)28/h2-10,16,29H,1,11H2,(H4,22,23,24,26,27)/t16-/m0/s1
Definition date:	2008-09-09
Last modified:	2013-06-06
Identifier:	(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol

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