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2KP

2KP
Name:	N~6~-(4-bromobenzoyl)-L-lysine
Formula:	C13 H17 Br N2 O3
SMILES:	O=C(c1ccc(Br)cc1)NCCCCC(C(=O)O)N
InChi:	InChI=1S/C13H17BrN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
Definition date:	2013-11-21
Last modified:	2014-09-26
Release date:	2014-10-01
Identifier:	N~6~-(4-bromobenzoyl)-L-lysine

WGG

WGG
Name:	N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
Formula:	C17 H15 N3 O3
SMILES:	O=C(C2=Nc1c(cccc1)C(=O)N2)NCc3cccc(OC)c3
InChi:	InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
Definition date:	2013-01-22
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide

WLL

WLL
Name:	N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide
Formula:	C15 H13 N3 O3 S
SMILES:	O=C(C2=Nc1sccc1C(=O)N2)NCc3cccc(OC)c3
InChi:	InChI=1S/C15H13N3O3S/c1-21-10-4-2-3-9(7-10)8-16-14(20)12-17-13(19)11-5-6-22-15(11)18-12/h2-7H,8H2,1H3,(H,16,20)(H,17,18,19)
Definition date:	2013-01-22
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide

JJ1

JJ1
Name:	N-[(1S)-1-{[(1S)-5-AMINO-1-[(2-CYCLOHEXYLETHYL)CARBAMOYL]PENTYL]CARBAMOYL}-2-HYDROXYETHYL]-10-HYDROXYDECANAMIDE
Formula:	C27 H52 N4 O5
SMILES:	O=C(NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCCCCO
InChi:	InChI=1S/C27H52N4O5/c28-18-11-10-15-23(26(35)29-19-17-22-13-7-6-8-14-22)31-27(36)24(21-33)30-25(34)16-9-4-2-1-3-5-12-20-32/h22-24,32-33H,1-21,28H2,(H,29,35)(H,30,34)(H,31,36)/t23-,24-/m0/s1
Definition date:	2013-09-20
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	N-(10-hydroxydecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide

LCD

LCD
Name:	{[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid
Formula:	C19 H16 O7
SMILES:	O=C(O)COc3ccc1c(O/C(C1=O)=Cc2ccc(OC)c(OC)c2)c3
InChi:	InChI=1S/C19H16O7/c1-23-14-6-3-11(7-16(14)24-2)8-17-19(22)13-5-4-12(9-15(13)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-8-
Definition date:	2013-10-03
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	{[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid

2RU

2RU
Name:	1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
Formula:	C17 H22 F3 N3 O2
SMILES:	O=C(N2CCC(NC(=O)Nc1ccc(cc1)C(F)(F)F)CC2)C(C)C
InChi:	InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
Definition date:	2014-01-14
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

2RV

2RV
Name:	1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
Formula:	C16 H20 F3 N3 O3
SMILES:	O=C(N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)cc1)CC2)CC
InChi:	InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
Definition date:	2014-01-14
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea

2SZ

2SZ
Name:	6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide
Formula:	C32 H29 N7 O2
SMILES:	O=C(NO)c1cc(c(nc1)n2c3ccccc3nc2)c6ccc(C#Cc4ccc(nc4)CN5CCN(CC5)C)cc6
InChi:	InChI=1S/C32H29N7O2/c1-37-14-16-38(17-15-37)21-27-13-10-24(19-33-27)7-6-23-8-11-25(12-9-23)28-18-26(32(40)36-41)20-34-31(28)39-22-35-29-4-2-3-5-30(29)39/h2-5,8-13,18-20,22,41H,14-17,21H2,1H3,(H,36,40)
Definition date:	2014-01-27
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide

32Q

32Q
Name:	(2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
Formula:	C20 H27 N2 O4 P
SMILES:	O=C(O)C(Cc1ccc(cc1)CN)CP(=O)(O)C(N)CCc2ccccc2
InChi:	InChI=1S/C20H27N2O4P/c21-13-17-8-6-16(7-9-17)12-18(20(23)24)14-27(25,26)19(22)11-10-15-4-2-1-3-5-15/h1-9,18-19H,10-14,21-22H2,(H,23,24)(H,25,26)/t18-,19-/m1/s1
Definition date:	2014-05-29
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid

32R

32R
Name:	(2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
Formula:	C20 H27 N2 O4 P
SMILES:	O=C(O)C(Cc1ccc(cc1)CN)CP(=O)(O)C(N)CCc2ccccc2
InChi:	InChI=1S/C20H27N2O4P/c21-13-17-8-6-16(7-9-17)12-18(20(23)24)14-27(25,26)19(22)11-10-15-4-2-1-3-5-15/h1-9,18-19H,10-14,21-22H2,(H,23,24)(H,25,26)/t18-,19+/m0/s1
Definition date:	2014-05-29
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid

1Q1

1Q1
Name:	1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
Formula:	C12 H12 F N O3
SMILES:	Fc1c(O)ccc(c1)C2=NOC(C2)CC(=O)C
InChi:	InChI=1S/C12H12FNO3/c1-7(15)4-9-6-11(14-17-9)8-2-3-12(16)10(13)5-8/h2-3,5,9,16H,4,6H2,1H3/t9-/m1/s1
Definition date:	2013-04-23
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one

NXU

NXU
Name:	(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C19 H22 N2 O5 S
SMILES:	O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O
InChi:	InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Definition date:	2014-09-12
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

P2D

P2D
Name:	pentane-2,4-dione
Formula:	C5 H8 O2
SMILES:	O=C(C)CC(=O)C
InChi:	InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
Definition date:	2013-11-27
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	pentane-2,4-dione

377

377
Name:	Memantine
Formula:	C12 H21 N
SMILES:	NC12CC3(CC(C1)(CC(C2)C3)C)C
InChi:	InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9-,10+,11-,12-
Definition date:	2014-07-01
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(1r,3R,5S,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine

379

379
Name:	3-{[(R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(S)-2-benzylpropanoic acid
Formula:	C18 H23 N2 O4 P
SMILES:	O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2cccnc2
InChi:	InChI=1S/C18H23N2O4P/c19-17(9-8-15-7-4-10-20-12-15)25(23,24)13-16(18(21)22)11-14-5-2-1-3-6-14/h1-7,10,12,16-17H,8-9,11,13,19H2,(H,21,22)(H,23,24)/t16-,17-/m1/s1
Definition date:	2014-06-27
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(2S)-3-[(S)-[(1R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl]-2-benzylpropanoic acid

37E

37E
Name:	[(1R)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid
Formula:	C8 H19 N2 O3 P
SMILES:	O=P(O)(O)C(N)CNC1CCCCC1
InChi:	InChI=1S/C8H19N2O3P/c9-8(14(11,12)13)6-10-7-4-2-1-3-5-7/h7-8,10H,1-6,9H2,(H2,11,12,13)/t8-/m1/s1
Definition date:	2014-06-27
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	[(1R)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid

3EE

3EE
Name:	4-(2-aminophenyl)-2,4-dioxobutanoic acid
Formula:	C10 H9 N O4
SMILES:	O=C(c1ccccc1N)CC(=O)C(=O)O
InChi:	InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)
Definition date:	2014-08-12
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	4-(2-aminophenyl)-2,4-dioxobutanoic acid

3EX

3EX
Name:	3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
Formula:	C19 H18 F N3 O4
SMILES:	Fc1cc(ccc1Nc2c3c(oc2C(=O)NOCCO)ccnc3)C4CC4
InChi:	InChI=1S/C19H18FN3O4/c20-14-9-12(11-1-2-11)3-4-15(14)22-17-13-10-21-6-5-16(13)27-18(17)19(25)23-26-8-7-24/h3-6,9-11,22,24H,1-2,7-8H2,(H,23,25)
Definition date:	2014-08-04
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide

3EY

3EY
Name:	8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
Formula:	C19 H19 F N4 O3
SMILES:	Fc1cc(ccc1Nc2c(ccn3c2cnc3)C(=O)NOCCO)C4CC4
InChi:	InChI=1S/C19H19FN4O3/c20-15-9-13(12-1-2-12)3-4-16(15)22-18-14(19(26)23-27-8-7-25)5-6-24-11-21-10-17(18)24/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26)
Definition date:	2014-08-04
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide

BR7

BR7
Name:	Bromomemantine
Formula:	C12 H20 Br N
SMILES:	BrC13CC2(CC(N)(CC(C1)(C)C2)C3)C
InChi:	InChI=1S/C12H20BrN/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h3-8,14H2,1-2H3/t9-,10+,11+,12-
Definition date:	2014-07-01
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(1r,3s,5R,7S)-3-bromo-5,7-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine

EN5

EN5
Name:	N-(10-aminodecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide
Formula:	C27 H53 N5 O4
SMILES:	O=C(NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCCCCN
InChi:	InChI=1S/C27H53N5O4/c28-18-11-5-3-1-2-4-9-16-25(34)31-24(21-33)27(36)32-23(15-10-12-19-29)26(35)30-20-17-22-13-7-6-8-14-22/h22-24,33H,1-21,28-29H2,(H,30,35)(H,31,34)(H,32,36)/t23-,24-/m0/s1
Definition date:	2013-09-23
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	N-(10-aminodecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide

ENF

ENF
Name:	N-{(5E)-10-[(9E)-tetradec-9-enoylamino]dec-5-enoyl}-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide
Formula:	C41 H79 N5 O5
SMILES:	O=C(NCCCC/C=C/CCCC(=O)NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCC/C=C/CCCC
InChi:	InChI=1S/C41H75N5O5/c1-2-3-4-5-6-7-8-9-11-14-20-28-38(48)43-32-24-16-13-10-12-15-21-29-39(49)45-37(34-47)41(51)46-36(27-22-23-31-42)40(50)44-33-30-35-25-18-17-19-26-35/h5-6,10,12,35-37,47H,2-4,7-9,11,13-34,42H2,1H3,(H,43,48)(H,44,50)(H,45,49)(H,46,51)/b6-5+,12-10+/t36-,37-/m0/s1
Definition date:	2013-09-23
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	N-{(5E)-10-[(9E)-tetradec-9-enoylamino]dec-5-enoyl}-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide

HYH

HYH
Name:	(2R)-2-hydroxyhexanamide
Formula:	C6 H13 N O2
SMILES:	O=C(N)C(O)CCCC
InChi:	InChI=1S/C6H13NO2/c1-2-3-4-5(8)6(7)9/h5,8H,2-4H2,1H3,(H2,7,9)/t5-/m1/s1
Definition date:	2014-09-08
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(2R)-2-hydroxyhexanamide

I79

I79
Name:	{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid
Formula:	C26 H22 Cl N3 O2 S
SMILES:	O=C(O)Cc3c2ccc(c1cc(N)cc(N)c1)cc2n(c3)Cc4c5cc(Cl)ccc5sc4C
InChi:	InChI=1S/C26H22ClN3O2S/c1-14-23(22-10-18(27)3-5-25(22)33-14)13-30-12-17(9-26(31)32)21-4-2-15(8-24(21)30)16-6-19(28)11-20(29)7-16/h2-8,10-12H,9,13,28-29H2,1H3,(H,31,32)
Definition date:	2011-05-20
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid

IG2

IG2
Name:	(2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
Formula:	C6 H11 N2 O6 P
SMILES:	O=P(O)(O)OCC(O)C(O)c1cncn1
InChi:	InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6-/m0/s1
Definition date:	2013-09-25
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate

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