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2W5

2W5
Name:	(1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide
Formula:	C20 H23 Cl2 N3 O3
SMILES:	Clc1ccc(cc1Cl)CNC(=O)C3CCCCC3c2nc(OC)cc(OC)n2
InChi:	InChI=1S/C20H23Cl2N3O3/c1-27-17-10-18(28-2)25-19(24-17)13-5-3-4-6-14(13)20(26)23-11-12-7-8-15(21)16(22)9-12/h7-10,13-14H,3-6,11H2,1-2H3,(H,23,26)/t13-,14-/m1/s1
Definition date:	2014-03-04
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	(1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide

1QC

1QC
Name:	N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
Formula:	C21 H28 N6 O4 S3
SMILES:	O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N)C
InChi:	InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)
Definition date:	2013-04-26
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide

1V6

1V6
Name:	4-(4-benzylphenyl)-1,3-thiazol-2-amine
Formula:	C16 H14 N2 S
SMILES:	n3c(c1ccc(cc1)Cc2ccccc2)csc3N
InChi:	InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
Definition date:	2013-06-15
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	4-(4-benzylphenyl)-1,3-thiazol-2-amine

28C

28C
Name:	4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol
Formula:	C14 H15 N5 O
SMILES:	n1nc2c(cc(nn2c1)C)NCCc3ccc(O)cc3
InChi:	InChI=1S/C14H15N5O/c1-10-8-13(14-17-16-9-19(14)18-10)15-7-6-11-2-4-12(20)5-3-11/h2-5,8-9,15,20H,6-7H2,1H3
Definition date:	2013-09-06
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol

28T

28T
Name:	1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline
Formula:	C13 H20 N2 O4
SMILES:	O=C(N1C(C(=O)O)CCC1)CCC(=O)C2NCCC2
InChi:	InChI=1S/C13H20N2O4/c16-11(9-3-1-7-14-9)5-6-12(17)15-8-2-4-10(15)13(18)19/h9-10,14H,1-8H2,(H,18,19)/t9-,10-/m0/s1
Definition date:	2013-09-10
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline

2EU

2EU
Name:	1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
Formula:	C17 H16 F6 N2 O3 S2
SMILES:	O=S(=O)(N2CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)CC2)c3sccc3
InChi:	InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
Definition date:	2013-10-01
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol

2JJ

2JJ
Name:	5-phosphono-D-norvaline
Formula:	C5 H12 N O5 P
SMILES:	O=P(O)(O)CCCC(N)C(=O)O
InChi:	InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1
Definition date:	2013-10-31
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	5-phosphono-D-norvaline

2JK

2JK
Name:	4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
Formula:	C12 H11 N O3
SMILES:	O=C(O)c1nc2cc(cc(c2c(O)c1)C)C
InChi:	InChI=1S/C12H11NO3/c1-6-3-7(2)11-8(4-6)13-9(12(15)16)5-10(11)14/h3-5H,1-2H3,(H,13,14)(H,15,16)
Definition date:	2013-10-31
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid

2JL

2JL
Name:	(2S,3R)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid
Formula:	C21 H18 N2 O5
SMILES:	O=C(c3cc2ccc1ccccc1c2cc3)N4C(C(=O)O)C(C(=O)O)NCC4
InChi:	InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m1/s1
Definition date:	2013-10-31
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	(2S,3R)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid

2KN

2KN
Name:	N,N',N''-triethylbenzene-1,3,5-tricarboxamide
Formula:	C15 H21 N3 O3
SMILES:	O=C(NCC)c1cc(cc(C(=O)NCC)c1)C(=O)NCC
InChi:	InChI=1S/C15H21N3O3/c1-4-16-13(19)10-7-11(14(20)17-5-2)9-12(8-10)15(21)18-6-3/h7-9H,4-6H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
Definition date:	2013-11-20
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	N,N',N''-triethylbenzene-1,3,5-tricarboxamide

2PX

2PX
Name:	N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide
Formula:	C26 H31 N5 O
SMILES:	O=C(NC3CCN(Cc1cnc2ccc(cc12)C)CC3)C(N)Cc5c4ccccc4nc5
InChi:	InChI=1S/C26H31N5O/c1-17-6-7-25-22(12-17)19(15-29-25)16-31-10-8-20(9-11-31)30-26(32)23(27)13-18-14-28-24-5-3-2-4-21(18)24/h2-7,12,14-15,20,23,28-29H,8-11,13,16,27H2,1H3,(H,30,32)/t23-/m0/s1
Definition date:	2013-12-25
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide

2PZ

2PZ
Name:	N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide
Formula:	C16 H22 N4 O
SMILES:	O=C(NC3CCN(Cc1cnc2ccccc12)CC3)CN
InChi:	InChI=1S/C16H22N4O/c17-9-16(21)19-13-5-7-20(8-6-13)11-12-10-18-15-4-2-1-3-14(12)15/h1-4,10,13,18H,5-9,11,17H2,(H,19,21)
Definition date:	2013-12-25
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide

AXY

AXY
Name:	(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid
Formula:	C27 H22 O3
SMILES:	O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc4ccc(c3ccccc3)cc4
InChi:	InChI=1S/C27H22O3/c28-27(29)26(19-20-11-13-23(14-12-20)21-7-3-1-4-8-21)30-25-17-15-24(16-18-25)22-9-5-2-6-10-22/h1-18,26H,19H2,(H,28,29)/t26-/m0/s1
Definition date:	2013-04-05
Last modified:	2014-03-07
Release date:	2014-03-12
Identifier:	(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid

XXC

XXC
Name:	7-phenylheptanoic acid
Formula:	C13 H18 O2
SMILES:	O=C(O)CCCCCCc1ccccc1
InChi:	InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
Definition date:	2014-02-14
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	7-phenylheptanoic acid

W6Y

W6Y
Name:	5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C18 H14 N2 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cccc(C(=O)O)c2cc3
InChi:	InChI=1S/C18H14N2O6/c21-15-13(14(17(24)25)19-18(26)20-15)7-5-9-4-6-11-10(8-9)2-1-3-12(11)16(22)23/h1-4,6,8H,5,7H2,(H,22,23)(H,24,25)(H2,19,20,21,26)
Definition date:	2013-03-14
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W70

W70
Name:	2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
Formula:	C19 H16 N2 O5
SMILES:	OC(=O)C1=C(CCc2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)N1
InChi:	InChI=1S/C19H16N2O5/c22-17-15(16(18(23)24)20-19(25)21-17)11-8-12-6-9-14(10-7-12)26-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,23,24)(H2,20,21,22,25)
Definition date:	2013-03-04
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	2,4-bis(oxidanylidene)-5-[2-(4-phenoxyphenyl)ethyl]-1H-pyrimidine-6-carboxylic acid

W73

W73
Name:	2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
Formula:	C21 H16 N2 O4
SMILES:	OC(=O)C1=C(CCc2cc3ccccc3c4ccccc24)C(=O)NC(=O)N1
InChi:	InChI=1S/C21H16N2O4/c24-19-17(18(20(25)26)22-21(27)23-19)10-9-13-11-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-8,11H,9-10H2,(H,25,26)(H2,22,23,24,27)
Definition date:	2013-03-05
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	2,4-bis(oxidanylidene)-5-(2-phenanthren-9-ylethyl)-1H-pyrimidine-6-carboxylic acid

W74

W74
Name:	2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C14 H11 F3 N2 O5
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(OC(F)(F)F)cc2
InChi:	InChI=1S/C14H11F3N2O5/c15-14(16,17)24-8-4-1-7(2-5-8)3-6-9-10(12(21)22)18-13(23)19-11(9)20/h1-2,4-5H,3,6H2,(H,21,22)(H2,18,19,20,23)
Definition date:	2013-03-11
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W75

W75
Name:	5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C15 H16 N2 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cc(OC)cc(OC)c2
InChi:	InChI=1S/C15H16N2O6/c1-22-9-5-8(6-10(7-9)23-2)3-4-11-12(14(19)20)16-15(21)17-13(11)18/h5-7H,3-4H2,1-2H3,(H,19,20)(H2,16,17,18,21)
Definition date:	2013-03-11
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W76

W76
Name:	5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C14 H14 N2 O5
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(OC)c2
InChi:	InChI=1S/C14H14N2O5/c1-21-9-4-2-3-8(7-9)5-6-10-11(13(18)19)15-14(20)16-12(10)17/h2-4,7H,5-6H2,1H3,(H,18,19)(H2,15,16,17,20)
Definition date:	2013-03-11
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7A

W7A
Name:	2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
Formula:	C19 H16 N2 O4
SMILES:	OC(=O)C1=C(CCc2ccc(cc2)c3ccccc3)C(=O)NC(=O)N1
InChi:	InChI=1S/C19H16N2O4/c22-17-15(16(18(23)24)20-19(25)21-17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,23,24)(H2,20,21,22,25)
Definition date:	2013-03-05
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	2,4-bis(oxidanylidene)-5-[2-(4-phenylphenyl)ethyl]-1H-pyrimidine-6-carboxylic acid

W7B

W7B
Name:	5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
Formula:	C17 H14 N2 O4
SMILES:	OC(=O)C1=C(CCc2cccc3ccccc23)C(=O)NC(=O)N1
InChi:	InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,21,22)(H2,18,19,20,23)
Definition date:	2013-03-05
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-(2-naphthalen-1-ylethyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid

W7C

W7C
Name:	5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C18 H16 N2 O5
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cccc(OC)c2cc3
InChi:	InChI=1S/C18H16N2O5/c1-25-14-4-2-3-11-9-10(5-7-12(11)14)6-8-13-15(17(22)23)19-18(24)20-16(13)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24)
Definition date:	2013-03-12
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7D

W7D
Name:	5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C18 H16 N2 O5
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2c(OC)cccc2cc3
InChi:	InChI=1S/C18H16N2O5/c1-25-14-4-2-3-11-7-5-10(9-13(11)14)6-8-12-15(17(22)23)19-18(24)20-16(12)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24)
Definition date:	2013-03-12
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7F

W7F
Name:	5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C18 H16 N2 O5
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3c2cc(OC)ccc2ccc3
InChi:	InChI=1S/C18H16N2O5/c1-25-12-7-5-10-3-2-4-11(14(10)9-12)6-8-13-15(17(22)23)19-18(24)20-16(13)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24)
Definition date:	2013-03-12
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

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