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03I

03I
Name:	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide
Formula:	C25 H34 N2 O6 S
SMILES:	O=S(=O)(C)C(C(=O)NO)(C)CCc1ccc(cc1)c3ccc(OCCCN2CCOCC2)cc3
InChi:	InChI=1S/C25H34N2O6S/c1-25(24(28)26-29,34(2,30)31)13-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)33-17-3-14-27-15-18-32-19-16-27/h4-11,29H,3,12-19H2,1-2H3,(H,26,28)/t25-/m1/s1
Definition date:	2011-10-04
Last modified:	2011-12-30
Identifier:	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide

P4F

P4F
Name:	5,5-difluoro-4-oxo-5-phosphono-D-norvaline
Formula:	C5 H8 F2 N O6 P
SMILES:	O=C(C(F)(F)P(=O)(O)O)CC(C(=O)O)N
InChi:	InChI=1S/C5H8F2NO6P/c6-5(7,15(12,13)14)3(9)1-2(8)4(10)11/h2H,1,8H2,(H,10,11)(H2,12,13,14)/t2-/m1/s1
Definition date:	2010-12-21
Last modified:	2011-12-30
Identifier:	5,5-difluoro-4-oxo-5-phosphono-D-norvaline

KLI

KLI
Name:	3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one
Formula:	C31 H26 F5 N5 O2
SMILES:	FC(F)(F)c1ccc(c(F)c1)CN4c6c(C(=O)C(c2nc(on2)Cc3ccccc3)=C4)cc(F)c(N5CCN(C)CC5)c6
InChi:	InChI=1S/C31H26F5N5O2/c1-39-9-11-40(12-10-39)27-16-26-22(15-25(27)33)29(42)23(30-37-28(43-38-30)13-19-5-3-2-4-6-19)18-41(26)17-20-7-8-21(14-24(20)32)31(34,35)36/h2-8,14-16,18H,9-13,17H2,1H3
Definition date:	2011-11-02
Last modified:	2011-12-16
Identifier:	3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one

C1L

C1L
Name:	6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline
Formula:	C18 H22 N4 O2
SMILES:	O(c2cc1c(c3c(nc1c(c2)C)nnc3C)CN4CCOCC4)C
InChi:	InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)
Definition date:	2011-11-28
Last modified:	2011-12-16
Identifier:	6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline

A9D

A9D
Name:	(2S)-2-amino-2-carboxyethyl 1-carboxy-L-prolyl-L-prolinate
Formula:	C14 H21 N3 O7
SMILES:	O=C(N1C(C(=O)OCC(C(=O)O)N)CCC1)C2N(C(=O)O)CCC2
InChi:	InChI=1S/C14H21N3O7/c15-8(12(19)20)7-24-13(21)10-4-2-5-16(10)11(18)9-3-1-6-17(9)14(22)23/h8-10H,1-7,15H2,(H,19,20)(H,22,23)/t8-,9-,10-/m0/s1
Definition date:	2009-09-11
Last modified:	2011-12-12
Identifier:	(2S)-2-amino-2-carboxyethyl 1-carboxy-L-prolyl-L-prolinate

ZD9

ZD9
Name:	2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one
Formula:	C14 H15 N3 O
SMILES:	O=C1c2cc(c(cc2N=C(N1)C)C)CNC#CC
InChi:	InChI=1S/C14H15N3O/c1-4-5-15-8-11-7-12-13(6-9(11)2)16-10(3)17-14(12)18/h6-7,15H,8H2,1-3H3,(H,16,17,18)
Definition date:	2011-06-30
Last modified:	2011-12-02
Identifier:	2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one

EFE

EFE
Name:	ENANTIO-PYOCHELIN FE(III)
Formula:	C14 H14 Fe N2 O3 S2
SMILES:	O=C4O[Fe]35Oc1c(cccc1)C=2SCC([N+]=23)C6SCC4[N+]56C
InChi:	InChI=1S/C14H16N2O3S2.Fe/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17
Definition date:	2011-02-16
Last modified:	2011-12-02
Identifier:	[(2S,3S,4S)-2-{(4S)-2-[2-(hydroxy-kappaO)phenyl]-4,5-dihydro-1,3-thiazol-4-yl-kappaN}-3-methyl-1,3-thiazolidine-4-carboxylato(2-)-kappa~2~N,O]iron(2+)

0TP

0TP
Name:	4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
Formula:	C19 H20 N4 O2 S
SMILES:	O=C(c2c1sc(cc1c(nc2)N)c4ccc(N3CCOCC3)cc4)NC
InChi:	InChI=1S/C19H20N4O2S/c1-21-19(24)15-11-22-18(20)14-10-16(26-17(14)15)12-2-4-13(5-3-12)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,20,22)(H,21,24)
Definition date:	2011-09-09
Last modified:	2011-11-25
Identifier:	4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide

Q9G

Q9G
Name:	5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE
Formula:	C17 H17 F N4
SMILES:	Cc1ccc(F)cc1c2nc3[nH]nc(N)c3c4CCCCc24
InChi:	InChI=1S/C17H17FN4/c1-9-6-7-10(18)8-13(9)15-12-5-3-2-4-11(12)14-16(19)21-22-17(14)20-15/h6-8H,2-5H2,1H3,(H3,19,20,21,22)
Definition date:	2010-11-19
Last modified:	2011-11-25
Identifier:	5-(5-fluoro-2-methyl-phenyl)-6,7,8,9-tetrahydro-3H-pyrazolo[5,4-c]isoquinolin-1-amine

YJC

YJC
Name:	(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide
Formula:	C25 H25 Cl2 N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Cl)cc3)CC4)C5
InChi:	InChI=1S/C25H25Cl2N3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:	2011-05-19
Last modified:	2011-11-21
Identifier:	(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide

YJ2

YJ2
Name:	(2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE
Formula:	C25 H25 Br Cl N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Br)cc3)CC4)C5
InChi:	InChI=1S/C25H25BrClN3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:	2011-05-18
Last modified:	2011-11-18
Identifier:	(4R)-1-{[1-(4-bromophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide

YJ8

YJ8
Name:	(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
Formula:	C25 H25 Cl I N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(I)cc3)CC4)C5
InChi:	InChI=1S/C25H25ClIN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:	2011-05-19
Last modified:	2011-11-18
Identifier:	(4R)-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(4-iodophenyl)cyclopropyl]carbonyl}-L-prolinamide

YJ9

YJ9
Name:	(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
Formula:	C26 H25 Cl F3 N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(cc3)C(F)(F)F)CC4)C5
InChi:	InChI=1S/C26H25ClF3N3O4S/c27-19-3-1-2-4-21(19)38(36,37)18-13-20(22(34)32-24(15-31)9-10-24)33(14-18)23(35)25(11-12-25)16-5-7-17(8-6-16)26(28,29)30/h1-8,15,18,20,31H,9-14H2,(H,32,34)/b31-15+/t18-,20+/m1/s1
Definition date:	2011-05-19
Last modified:	2011-11-18
Identifier:	(4R)-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-({1-[4-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-prolinamide

27U

27U
Name:	N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide
Formula:	C22 H26 N4 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCc2ccccc2)CCC3
InChi:	InChI=1S/C22H26N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,19H,4,7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1
Definition date:	2008-02-11
Last modified:	2011-11-17
Identifier:	N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide

TGE

TGE
Name:	7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one
Formula:	C24 H32 N6 O4
SMILES:	O=C2N(c3cc(ncc3N=C2NCCN1CCOCC1)c4ccc(OC)nc4)CCOCCC
InChi:	InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)
Definition date:	2011-08-25
Last modified:	2011-11-04
Identifier:	7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one

QUL

QUL
Name:	N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine
Formula:	C21 H24 N4
SMILES:	n2c1ccccc1c(c4c2c3ccccc3n4)NCCN(CC)CC
InChi:	InChI=1S/C21H24N4/c1-3-25(4-2)14-13-22-19-15-9-5-7-11-17(15)23-20-16-10-6-8-12-18(16)24-21(19)20/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23)
Definition date:	2011-01-12
Last modified:	2011-11-04
Identifier:	N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine

980

980
Name:	(2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one
Formula:	C23 H30 N8 O3 S
SMILES:	O=C(N1CCN(CC1)Cc3sc2c(nc(nc2c3C)c4cnc(nc4)N)N5CCOCC5)C(O)C
InChi:	InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
Definition date:	2011-09-02
Last modified:	2011-10-28
Identifier:	(2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one

P5K

P5K
Name:	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
Formula:	C24 H27 N3 O4 S2
SMILES:	O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)CC1)C(C)(C)C)Nc4c3ccccc3ccc4
InChi:	InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-18(22(28)27-11-13-33(30,31)14-12-27)21(32-20)26-23(29)25-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,29)
Definition date:	2010-10-12
Last modified:	2011-10-28
Identifier:	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea

3S1

3S1
Name:	6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one
Formula:	C16 H13 N O2
SMILES:	O=C2c3ccc(c1ccccc1CO)cc3C=CN2
InChi:	InChI=1S/C16H13NO2/c18-10-13-3-1-2-4-14(13)11-5-6-15-12(9-11)7-8-17-16(15)19/h1-9,18H,10H2,(H,17,19)
Definition date:	2011-06-15
Last modified:	2011-10-21
Identifier:	6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one

540

540
Name:	8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline
Formula:	C19 H17 F N4 O
SMILES:	Fc4cc3c(nc(c2c(nc(c1ccncc1C)n23)C)C)c(OC)c4
InChi:	InChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3
Definition date:	2011-07-11
Last modified:	2011-10-21
Identifier:	8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline

548

548
Name:	6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline
Formula:	C19 H14 Cl F3 N4
SMILES:	FC(F)(F)c4cc3c(nc(c2c(nc(c1ccncc1C)n23)C)C)c(Cl)c4
InChi:	InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
Definition date:	2011-07-11
Last modified:	2011-10-21
Identifier:	6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline

07K

07K
Name:	8-methylquinolin-4-amine
Formula:	C10 H10 N2
SMILES:	n1ccc(c2cccc(c12)C)N
InChi:	InChI=1S/C10H10N2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3,(H2,11,12)
Definition date:	2011-09-29
Last modified:	2011-10-21
Identifier:	8-methylquinolin-4-amine

YKE

YKE
Name:	N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide
Formula:	C29 H19 N5 O
SMILES:	O=C(c2c1cccnc1ccc2)NC=6C5=CC=CC(c4nc3ccncc3n4)C5=C7C=CC=CC=67
InChi:	InChI=1S/C29H19N5O/c35-29(20-8-4-12-23-17(20)11-5-14-31-23)34-27-19-7-2-1-6-18(19)26-21(27)9-3-10-22(26)28-32-24-13-15-30-16-25(24)33-28/h1-16,22H,(H,32,33)(H,34,35)/t22-/m1/s1
Definition date:	2011-05-26
Last modified:	2011-10-14
Identifier:	N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide

RKL

RKL
Name:	Ru(tap)2(dppz) complex
Formula:	C38 H22 N12 Ru
SMILES:	n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13
InChi:	InChI=1S/C18H10N4.2C10H6N4.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16
Definition date:	2011-02-09
Last modified:	2011-10-14
Identifier:	(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)

IAQ

IAQ
Name:	(2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide
Formula:	C24 H25 F N6 O
SMILES:	O=C(C=C/CN(C)C)N(c2c(F)cc1nc(c3cncn3c1c2)Nc4ccccc4C)C
InChi:	InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7-
Definition date:	2011-08-09
Last modified:	2011-10-07
Identifier:	(2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide

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222415

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