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AJ4

AJ4
Name:	7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one
Formula:	C16 H12 F N O
SMILES:	Fc3ccccc3c1ccc2c(c1)NC(=O)C=C2C
InChi:	InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)
Definition date:	2013-01-29
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one

AJ5

AJ5
Name:	3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Formula:	C20 H19 Cl N2 O3
SMILES:	O=C(NCCOC)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3
InChi:	InChI=1S/C20H19ClN2O3/c1-12-9-19(24)23-18-11-13(3-5-15(12)18)16-6-4-14(10-17(16)21)20(25)22-7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)
Definition date:	2013-02-12
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide

AJ6

AJ6
Name:	7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
Formula:	C16 H13 Cl N2 O
SMILES:	Clc3cc(N)ccc3c1ccc2c(c1)NC(=O)C=C2C
InChi:	InChI=1S/C16H13ClN2O/c1-9-6-16(20)19-15-7-10(2-4-12(9)15)13-5-3-11(18)8-14(13)17/h2-8H,18H2,1H3,(H,19,20)
Definition date:	2013-02-22
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one

AJ7

AJ7
Name:	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Formula:	C23 H24 Cl N3 O3
SMILES:	O=C2C=C(c1ccc(cc1N2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4)C
InChi:	InChI=1S/C23H24ClN3O3/c1-15-12-22(28)26-21-14-16(2-4-18(15)21)19-5-3-17(13-20(19)24)23(29)25-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,29)(H,26,28)
Definition date:	2013-02-22
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide

AJ8

AJ8
Name:	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
Formula:	C17 H12 Cl N O3
SMILES:	O=C(O)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3
InChi:	InChI=1S/C17H12ClNO3/c1-9-6-16(20)19-15-8-10(2-4-12(9)15)13-5-3-11(17(21)22)7-14(13)18/h2-8H,1H3,(H,19,20)(H,21,22)
Definition date:	2013-02-22
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid

1K4

1K4
Name:	N-decanoyl-L-homoserine
Formula:	C14 H27 N O4
SMILES:	O=C(NC(C(=O)O)CCO)CCCCCCCCC
InChi:	InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-13(17)15-12(10-11-16)14(18)19/h12,16H,2-11H2,1H3,(H,15,17)(H,18,19)/t12-/m0/s1
Definition date:	2013-02-26
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	N-decanoyl-L-homoserine

1AT

1AT
Name:	beta-D-fructofuranosyl 6-O-decanoyl-alpha-D-glucopyranoside
Formula:	C22 H40 O12
SMILES:	O=C(OCC2OC(OC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2O)CCCCCCCCC
InChi:	InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-15(25)31-11-14-16(26)18(28)19(29)21(32-14)34-22(12-24)20(30)17(27)13(10-23)33-22/h13-14,16-21,23-24,26-30H,2-12H2,1H3/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1
Definition date:	2012-11-16
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	beta-D-fructofuranosyl 6-O-decanoyl-alpha-D-glucopyranoside

1DS

1DS
Name:	1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside
Formula:	C22 H40 O12
SMILES:	O=C(OCC2(OC1OC(CO)C(O)C(O)C1O)OC(C(O)C2O)CO)CCCCCCCCC
InChi:	InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-15(25)31-12-22(20(30)17(27)14(11-24)33-22)34-21-19(29)18(28)16(26)13(10-23)32-21/h13-14,16-21,23-24,26-30H,2-12H2,1H3/t13-,14-,16-,17+,18-,19-,20+,21+,22+/m1/s1
Definition date:	2012-11-16
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside

I
Name:	INOSINIC ACID
Formula:	C10 H13 N4 O8 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O
InChi:	InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1
Definition date:	1999-07-08
Last modified:	2013-06-19
Identifier:	9-(5-O-phosphono-alpha-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one

KJ8

KJ8
Name:	N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-N~3~,N~3~-dimethyl-beta-alaninamide
Formula:	C31 H31 N5 O3
SMILES:	O=C(Nc5cccc(c1c3c(ncnc3oc1c2ccccc2)NC(c4ccccc4)CO)c5)CCN(C)C
InChi:	InChI=1S/C31H31N5O3/c1-36(2)17-16-26(38)34-24-15-9-14-23(18-24)27-28-30(35-25(19-37)21-10-5-3-6-11-21)32-20-33-31(28)39-29(27)22-12-7-4-8-13-22/h3-15,18,20,25,37H,16-17,19H2,1-2H3,(H,34,38)(H,32,33,35)/t25-/m1/s1
Definition date:	2013-03-25
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-N~3~,N~3~-dimethyl-beta-alaninamide

KJQ

KJQ
Name:	(2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
Formula:	C26 H21 N3 O2
SMILES:	n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NC(c5ccccc5)CO
InChi:	InChI=1S/C26H21N3O2/c30-16-21(18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)/t21-/m1/s1
Definition date:	2013-03-25
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	(2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol

KJR

KJR
Name:	N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide
Formula:	C28 H24 N4 O3
SMILES:	O=C(Nc5cccc(c1c3c(ncnc3oc1c2ccccc2)NC(c4ccccc4)CO)c5)C
InChi:	InChI=1S/C28H24N4O3/c1-18(34)31-22-14-8-13-21(15-22)24-25-27(32-23(16-33)19-9-4-2-5-10-19)29-17-30-28(25)35-26(24)20-11-6-3-7-12-20/h2-15,17,23,33H,16H2,1H3,(H,31,34)(H,29,30,32)/t23-/m1/s1
Definition date:	2013-03-25
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide

KJV

KJV
Name:	4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide
Formula:	C32 H33 N5 O3
SMILES:	O=C(Nc5cccc(c1c3c(ncnc3oc1c2ccccc2)NC(c4ccccc4)CO)c5)CCCN(C)C
InChi:	InChI=1S/C32H33N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-9,11-16,19,21,26,38H,10,17-18,20H2,1-2H3,(H,35,39)(H,33,34,36)/t26-/m1/s1
Definition date:	2013-03-25
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide

7AW

7AW
Name:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide
Formula:	C33 H48 N6 O4 S2
SMILES:	O=C(OCc1scnc1)NC(CCC)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C)Cc3ccccc3
InChi:	InChI=1S/C33H48N6O4S2/c1-7-11-25(37-33(42)43-19-28-17-34-21-45-28)14-15-26(16-24-12-9-8-10-13-24)35-30(40)29(22(2)3)38-32(41)39(6)18-27-20-44-31(36-27)23(4)5/h8-10,12-13,17,20-23,25-26,29H,7,11,14-16,18-19H2,1-6H3,(H,35,40)(H,37,42)(H,38,41)/t25-,26+,29-/m0/s1
Definition date:	2013-05-06
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide

MEJ

MEJ
Name:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
Formula:	C19 H19 N3 O2
SMILES:	O=C(NC(c1ccccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
InChi:	InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
Definition date:	2012-09-19
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide

MEW

MEW
Name:	2-methylquinazolin-4(3H)-one
Formula:	C9 H8 N2 O
SMILES:	O=C1c2ccccc2N=C(N1)C
InChi:	InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
Definition date:	2012-09-19
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	2-methylquinazolin-4(3H)-one

1RD

1RD
Name:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide
Formula:	C23 H36 N6 O4 S2
SMILES:	O=C(OCc1scnc1)NCCCCNC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C
InChi:	InChI=1S/C23H36N6O4S2/c1-15(2)19(28-22(31)29(5)11-17-13-34-21(27-17)16(3)4)20(30)25-8-6-7-9-26-23(32)33-12-18-10-24-14-35-18/h10,13-16,19H,6-9,11-12H2,1-5H3,(H,25,30)(H,26,32)(H,28,31)/t19-/m0/s1
Definition date:	2013-05-06
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide

1UH

1UH
Name:	2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine
Formula:	C23 H21 N5 O S
SMILES:	n1n(cc(c1)c3c2cc(oc2c(nc3)N)c5cccc4c5scc4)C6CCNCC6
InChi:	InChI=1S/C23H21N5OS/c24-23-21-18(10-20(29-21)17-3-1-2-14-6-9-30-22(14)17)19(12-26-23)15-11-27-28(13-15)16-4-7-25-8-5-16/h1-3,6,9-13,16,25H,4-5,7-8H2,(H2,24,26)
Definition date:	2013-06-07
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine

0X2

0X2
Name:	2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide
Formula:	C12 H8 Cl2 N2 O2
SMILES:	O=C2N=CCC(NC(=O)c1c(Cl)cccc1Cl)=C2
InChi:	InChI=1S/C12H8Cl2N2O2/c13-8-2-1-3-9(14)11(8)12(18)16-7-4-5-15-10(17)6-7/h1-3,5-6H,4H2,(H,16,18)
Definition date:	2012-08-17
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide

0X5

0X5
Name:	2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Formula:	C16 H13 Cl2 N3 O2
SMILES:	O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cccc2Cl)C3CC3
InChi:	InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)
Definition date:	2012-08-27
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide

5AW

5AW
Name:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide
Formula:	C25 H40 N6 O4 S2
SMILES:	O=C(OCc1scnc1)NC(C)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C)C
InChi:	InChI=1S/C25H40N6O4S2/c1-15(2)21(30-24(33)31(7)11-19-13-36-23(29-19)16(3)4)22(32)27-17(5)8-9-18(6)28-25(34)35-12-20-10-26-14-37-20/h10,13-18,21H,8-9,11-12H2,1-7H3,(H,27,32)(H,28,34)(H,30,33)/t17-,18-,21+/m0/s1
Definition date:	2013-05-06
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide

6AW

6AW
Name:	1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate
Formula:	C25 H40 N6 O5 S2
SMILES:	O=C(OCc1scnc1)NC(CC)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)CO)CC
InChi:	InChI=1S/C25H40N6O5S2/c1-6-17(8-9-18(7-2)29-25(35)36-13-20-10-26-15-38-20)27-22(33)21(12-32)30-24(34)31(5)11-19-14-37-23(28-19)16(3)4/h10,14-18,21,32H,6-9,11-13H2,1-5H3,(H,27,33)(H,29,35)(H,30,34)/t17-,18-,21-/m0/s1
Definition date:	2013-05-06
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate

8AW

8AW
Name:	1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate
Formula:	C28 H35 N3 O3 S
SMILES:	O=C(OCc1scnc1)NC(Cc2ccccc2)CCC(NC(=O)C(C)CC)Cc3ccccc3
InChi:	InChI=1S/C28H35N3O3S/c1-3-21(2)27(32)30-24(16-22-10-6-4-7-11-22)14-15-25(17-23-12-8-5-9-13-23)31-28(33)34-19-26-18-29-20-35-26/h4-13,18,20-21,24-25H,3,14-17,19H2,1-2H3,(H,30,32)(H,31,33)/t21-,24+,25+/m0/s1
Definition date:	2013-05-06
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate

8ME

8ME
Name:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide
Formula:	C18 H18 N4 O2
SMILES:	O=C(NC(c1ncccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
InChi:	InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1
Definition date:	2012-09-19
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide

FNT

FNT
Name:	(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid
Formula:	C13 H11 Cl N2 O4
SMILES:	[O-]C(=O)C(NC(=O)c1nc(Cl)c2c(c1O)cccc2)C
InChi:	InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/p-1/t6-/m0/s1
Definition date:	2013-06-04
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoate

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