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0BM

0BM
Name:	N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide
Formula:	C22 H34 N6 O4 S
SMILES:	O=C(NCC1CCN(C(=[N@H])N)CC1)C3N(C(=O)C(NS(=O)(=O)C)Cc2ccccc2)CCC3
InChi:	InChI=1S/C22H34N6O4S/c1-33(31,32)26-18(14-16-6-3-2-4-7-16)21(30)28-11-5-8-19(28)20(29)25-15-17-9-12-27(13-10-17)22(23)24/h2-4,6-7,17-19,26H,5,8-15H2,1H3,(H3,23,24)(H,25,29)/t18-,19+/m1/s1
Definition date:	2011-09-30
Last modified:	2011-10-07
Identifier:	N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide

P78

P78
Name:	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea
Formula:	C24 H27 N3 O4 S2
SMILES:	O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)CC1)C(C)(C)C)Nc4cc3ccccc3cc4
InChi:	InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-19(22(28)27-10-12-33(30,31)13-11-27)21(32-20)26-23(29)25-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,29)
Definition date:	2010-10-14
Last modified:	2011-10-07
Identifier:	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea

P79

P79
Name:	1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea
Formula:	C24 H29 N5 O4 S
SMILES:	O=S4(=O)CCN(C(=O)Cn3nc(cc3NC(=O)Nc2cc1ccccc1cc2)C(C)(C)C)CC4
InChi:	InChI=1S/C24H29N5O4S/c1-24(2,3)20-15-21(29(27-20)16-22(30)28-10-12-34(32,33)13-11-28)26-23(31)25-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14-15H,10-13,16H2,1-3H3,(H2,25,26,31)
Definition date:	2010-10-13
Last modified:	2011-10-07
Identifier:	1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea

P7A

P7A
Name:	1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea
Formula:	C23 H27 N3 O3 S2
SMILES:	O=S4(=O)CCN(c1sc(cc1NC(=O)Nc3c2ccccc2ccc3)C(C)(C)C)CC4
InChi:	InChI=1S/C23H27N3O3S2/c1-23(2,3)20-15-19(21(30-20)26-11-13-31(28,29)14-12-26)25-22(27)24-18-10-6-8-16-7-4-5-9-17(16)18/h4-10,15H,11-14H2,1-3H3,(H2,24,25,27)
Definition date:	2010-10-13
Last modified:	2011-10-07
Identifier:	1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea

SMA

SMA
Name:	STIGMATELLIN A
Formula:	C30 H42 O7
SMILES:	CO[CH](C=CC=CC(C)=CC)[CH](C)[CH](OC)[CH](C)CCC1=C(C)C(=O)c2c(OC)cc(OC)c(O)c2O1
InChi:	InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12?,18-10+/t19-,21+,22-,29-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-09-20
Identifier:	2-[(3S,4S,5S,6S,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl]-5,7-dimethoxy-3-methyl-8-oxidanyl-chromen-4-one

E1B

E1B
Name:	5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid
Formula:	C20 H12 N4 O2
SMILES:	O=C(O)c3cc2nc(c1ncncc1c2cc3)Nc4cc(C#C)ccc4
InChi:	InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)
Definition date:	2010-10-27
Last modified:	2011-09-02
Identifier:	5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid

OTC

OTC
Name:	OXYTETRACYCLINE
Formula:	C22 H24 N2 O9
SMILES:	O=C3C2=C(O)C1(O)C(=O)C(=C(O)C(N(C)C)C1C(O)C2C(O)(c4cccc(O)c34)C)C(=O)N
InChi:	InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
Definition date:	2010-08-30
Last modified:	2011-09-02
Identifier:	(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

PB8

PB8
Name:	(2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide
Formula:	C38 H46 F2 N4 O4
SMILES:	Fc1cc(cc(F)c1)CC(NC(=O)C(N2C(=O)C(NC(=O)C)(CC2)CC(C)C)CCc3ccccc3)C(O)C5NCc4ccccc4C5
InChi:	InChI=1S/C38H46F2N4O4/c1-24(2)22-38(43-25(3)45)15-16-44(37(38)48)34(14-13-26-9-5-4-6-10-26)36(47)42-33(19-27-17-30(39)21-31(40)18-27)35(46)32-20-28-11-7-8-12-29(28)23-41-32/h4-12,17-18,21,24,32-35,41,46H,13-16,19-20,22-23H2,1-3H3,(H,42,47)(H,43,45)/t32-,33+,34+,35-,38+/m1/s1
Definition date:	2011-06-24
Last modified:	2011-09-02
Identifier:	(2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide

3RS

3RS
Name:	(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide
Formula:	C27 H33 N3 O2
SMILES:	O=C(NC1CC(OCC1)(C)C)C(C)Cc3cc4cc(c2ccccc2C)ccc4nc3N
InChi:	InChI=1S/C27H33N3O2/c1-17-7-5-6-8-23(17)19-9-10-24-20(14-19)15-21(25(28)30-24)13-18(2)26(31)29-22-11-12-32-27(3,4)16-22/h5-10,14-15,18,22H,11-13,16H2,1-4H3,(H2,28,30)(H,29,31)/t18-,22-/m1/s1
Definition date:	2011-05-04
Last modified:	2011-08-26
Identifier:	(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide

3RU

3RU
Name:	3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
Formula:	C19 H25 N3 O
SMILES:	O=C(NCC1CCCCC1)CCc2cc3ccccc3nc2N
InChi:	InChI=1S/C19H25N3O/c20-19-16(12-15-8-4-5-9-17(15)22-19)10-11-18(23)21-13-14-6-2-1-3-7-14/h4-5,8-9,12,14H,1-3,6-7,10-11,13H2,(H2,20,22)(H,21,23)
Definition date:	2011-05-05
Last modified:	2011-08-26
Identifier:	3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide

M23

M23
Name:	7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
Formula:	C17 H17 Br N4 O
SMILES:	Brc3cc(c2c(cc1c(nc(nc1N)N)c2)C)c(OCC)cc3
InChi:	InChI=1S/C17H17BrN4O/c1-3-23-15-5-4-10(18)7-12(15)11-8-14-13(6-9(11)2)16(19)22-17(20)21-14/h4-8H,3H2,1-2H3,(H4,19,20,21,22)
Definition date:	2011-07-26
Last modified:	2011-08-26
Identifier:	7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine

P88

P88
Name:	7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid
Formula:	C31 H28 N2 O4
SMILES:	O=C(O)c2ncc1cc(ccc1c2)c5ccc(OCc4c(onc4c3c(cccc3C)C)C(C)C)cc5
InChi:	InChI=1S/C31H28N2O4/c1-18(2)30-26(29(33-37-30)28-19(3)6-5-7-20(28)4)17-36-25-12-10-21(11-13-25)22-8-9-23-15-27(31(34)35)32-16-24(23)14-22/h5-16,18H,17H2,1-4H3,(H,34,35)
Definition date:	2010-10-18
Last modified:	2011-08-26
Identifier:	7-(4-{[3-(2,6-dimethylphenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid

89P

89P
Name:	6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid
Formula:	C29 H22 Cl2 N2 O4
SMILES:	O=C(O)c5nc1c(cc(cc1)c4ccc(OCc3c(onc3c2c(Cl)cccc2Cl)C(C)C)cc4)cc5
InChi:	InChI=1S/C29H22Cl2N2O4/c1-16(2)28-21(27(33-37-28)26-22(30)4-3-5-23(26)31)15-36-20-10-6-17(7-11-20)18-8-12-24-19(14-18)9-13-25(32-24)29(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)
Definition date:	2010-10-18
Last modified:	2011-08-26
Identifier:	6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid

Q11

Q11
Name:	7-(2-methoxyphenyl)quinazoline-2,4-diamine
Formula:	C15 H14 N4 O
SMILES:	n3c1c(ccc(c1)c2ccccc2OC)c(nc3N)N
InChi:	InChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)9-6-7-11-12(8-9)18-15(17)19-14(11)16/h2-8H,1H3,(H4,16,17,18,19)
Definition date:	2011-07-22
Last modified:	2011-08-26
Identifier:	7-(2-methoxyphenyl)quinazoline-2,4-diamine

Q12

Q12
Name:	7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
Formula:	C17 H18 N4 O2
SMILES:	n3c1c(cc(c(c1)c2ccc(OC)c(OC)c2)C)c(nc3N)N
InChi:	InChI=1S/C17H18N4O2/c1-9-6-12-13(20-17(19)21-16(12)18)8-11(9)10-4-5-14(22-2)15(7-10)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
Definition date:	2011-07-26
Last modified:	2011-08-26
Identifier:	7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine

Q19

Q19
Name:	1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone
Formula:	C17 H16 N4 O
SMILES:	O=C(c3cccc(c2c(cc1c(nc(nc1N)N)c2)C)c3)C
InChi:	InChI=1S/C17H16N4O/c1-9-6-14-15(20-17(19)21-16(14)18)8-13(9)12-5-3-4-11(7-12)10(2)22/h3-8H,1-2H3,(H4,18,19,20,21)
Definition date:	2011-07-26
Last modified:	2011-08-26
Identifier:	1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone

Q20

Q20
Name:	3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde
Formula:	C18 H18 N4 O2
SMILES:	O=Cc3cc(c2c(cc1c(nc(nc1N)N)c2)C)c(OCC)cc3
InChi:	InChI=1S/C18H18N4O2/c1-3-24-16-5-4-11(9-23)7-13(16)12-8-15-14(6-10(12)2)17(19)22-18(20)21-15/h4-9H,3H2,1-2H3,(H4,19,20,21,22)
Definition date:	2011-07-26
Last modified:	2011-08-26
Identifier:	3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde

Q26

Q26
Name:	N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide
Formula:	C23 H23 N5 O3 S
SMILES:	O=S(=O)(Nc1cccc(c1)c4cc(c3ccc2c(nc(nc2N)N)c3)c(OCC)cc4)C
InChi:	InChI=1S/C23H23N5O3S/c1-3-31-21-10-8-15(14-5-4-6-17(11-14)28-32(2,29)30)12-19(21)16-7-9-18-20(13-16)26-23(25)27-22(18)24/h4-13,28H,3H2,1-2H3,(H4,24,25,26,27)
Definition date:	2011-07-26
Last modified:	2011-08-26
Identifier:	N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide

Q27

Q27
Name:	7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine
Formula:	C21 H20 N4 O
SMILES:	n4c1c(cc(c(c1)c3c2ccccc2ccc3OCC)C)c(nc4N)N
InChi:	InChI=1S/C21H20N4O/c1-3-26-18-9-8-13-6-4-5-7-14(13)19(18)15-11-17-16(10-12(15)2)20(22)25-21(23)24-17/h4-11H,3H2,1-2H3,(H4,22,23,24,25)
Definition date:	2011-07-26
Last modified:	2011-08-26
Identifier:	7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine

RSV

RSV
Name:	6-(thiophen-3-yl)quinolin-2-amine
Formula:	C13 H10 N2 S
SMILES:	n3c2ccc(c1ccsc1)cc2ccc3N
InChi:	InChI=1S/C13H10N2S/c14-13-4-2-10-7-9(1-3-12(10)15-13)11-5-6-16-8-11/h1-8H,(H2,14,15)
Definition date:	2011-05-04
Last modified:	2011-08-26
Identifier:	6-(thiophen-3-yl)quinolin-2-amine

RTH

RTH
Name:	6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine
Formula:	C21 H20 N2
SMILES:	C(#Cc3ccccc3c1ccc2nc(ccc2c1)N)C(C)(C)C
InChi:	InChI=1S/C21H20N2/c1-21(2,3)13-12-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20(22)23-19/h4-11,14H,1-3H3,(H2,22,23)
Definition date:	2011-05-04
Last modified:	2011-08-26
Identifier:	6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine

RTM

RTM
Name:	3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
Formula:	C19 H25 N3 O
SMILES:	O=C(N(C1CCCCC1)C)CCc2cc3ccccc3nc2N
InChi:	InChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21)
Definition date:	2011-05-04
Last modified:	2011-08-26
Identifier:	3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide

RTN

RTN
Name:	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide
Formula:	C25 H29 N3 O
SMILES:	O=C(NC1CCCCC1)CCc2cc3cc(ccc3nc2N)c4ccccc4C
InChi:	InChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29)
Definition date:	2011-05-05
Last modified:	2011-08-26
Identifier:	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide

PD4

PD4
Name:	6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
Formula:	C24 H32 N6 O4
SMILES:	O=C3N(c4nc(c1ccc(OC)nc1)ccc4N=C3NCCN2CCOCC2)CCOCCC
InChi:	InChI=1S/C24H32N6O4/c1-3-13-33-16-12-30-23-20(6-5-19(28-23)18-4-7-21(32-2)26-17-18)27-22(24(30)31)25-8-9-29-10-14-34-15-11-29/h4-7,17H,3,8-16H2,1-2H3,(H,25,27)
Definition date:	2009-05-13
Last modified:	2011-08-25
Identifier:	6-(6-methoxypyridin-3-yl)-2-{[2-(morpholin-4-yl)ethyl]amino}-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one

SZ8

SZ8
Name:	methyl (4R)-4-amino-1-methyl-L-prolinate
Formula:	C7 H14 N2 O2
SMILES:	O=C(OC)C1N(C)CC(N)C1
InChi:	InChI=1S/C7H14N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h5-6H,3-4,8H2,1-2H3/t5-,6+/m1/s1
Definition date:	2011-06-07
Last modified:	2011-08-19
Identifier:	methyl (4R)-4-amino-1-methyl-L-prolinate

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