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JJK

JJK
Name:	S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine
Formula:	C9 H12 N2 O3 S
SMILES:	O=C(O)C(N)CSC(O)c1cccnc1
InChi:	InChI=1S/C9H12N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7,9,14H,5,10H2,(H,12,13)/t7-,9-/m0/s1
Definition date:	2010-08-06
Last modified:	2011-06-04
Identifier:	S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine

JJZ

JJZ
Name:	4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide
Formula:	C25 H20 Cl N3 O2
SMILES:	Clc4cc(NC(=O)CCC(=O)N/N=C/c3c1ccccc1cc2ccccc23)ccc4
InChi:	InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
Definition date:	2010-04-20
Last modified:	2011-06-04
Identifier:	4-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-(3-chlorophenyl)-4-oxobutanamide

JK3

JK3
Name:	5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
Formula:	C18 H17 Br Cl N3 O2
SMILES:	O=C(Nc2cccc(Cl)c2N1CCN(CC#C)CC1)c3oc(Br)cc3
InChi:	InChI=1S/C18H17BrClN3O2/c1-2-8-22-9-11-23(12-10-22)17-13(20)4-3-5-14(17)21-18(24)15-6-7-16(19)25-15/h1,3-7H,8-12H2,(H,21,24)
Definition date:	2009-01-23
Last modified:	2011-06-04
Identifier:	5-bromo-N-[3-chloro-2-(4-prop-2-yn-1-ylpiperazin-1-yl)phenyl]furan-2-carboxamide

JKE

JKE
Name:	2-sulfanylbenzoic acid
Formula:	C7 H6 O2 S
SMILES:	O=C(O)c1ccccc1S
InChi:	InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)
Definition date:	2010-12-20
Last modified:	2011-06-04
Identifier:	2-sulfanylbenzoic acid

JN5

JN5
Name:	(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile
Formula:	C20 H16 N6 S
SMILES:	N#CC(c1nc2ccccc2s1)c3nc(ncc3)NCCc4cccnc4
InChi:	InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)/t15-/m1/s1
Definition date:	2008-05-01
Last modified:	2011-06-04
Identifier:	(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile

JNH

JNH
Name:	1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
Formula:	C20 H25 N3 O
SMILES:	O=C(N1CCCC1CN)C(N)Cc3ccc(c2ccccc2)cc3
InChi:	InChI=1S/C20H25N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-14,21-22H2/t18-,19-/m0/s1
Definition date:	2005-09-07
Last modified:	2011-06-04
Identifier:	(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-biphenyl-4-yl-1-oxopropan-2-amine

JNZ

JNZ
Name:	1H-indazol-3-amine
Formula:	C7 H7 N3
SMILES:	n2c(c1ccccc1n2)N
InChi:	InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
Definition date:	2010-07-21
Last modified:	2011-06-04
Identifier:	1H-indazol-3-amine

JOZ

JOZ
Name:	3,4-dihydroisoquinolin-1(2H)-one
Formula:	C9 H9 N O
SMILES:	O=C2c1c(cccc1)CCN2
InChi:	InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
Definition date:	2010-07-13
Last modified:	2011-06-04
Identifier:	3,4-dihydroisoquinolin-1(2H)-one

JP1

JP1
Name:	N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-4-CARBOXAMIDE
Formula:	C17 H16 Cl2 N2 O4
SMILES:	O=C(Nc2ccc(Oc1ccc(Cl)cc1O)c(Cl)c2)N3CCOCC3
InChi:	InChI=1S/C17H16Cl2N2O4/c18-11-1-3-16(14(22)9-11)25-15-4-2-12(10-13(15)19)20-17(23)21-5-7-24-8-6-21/h1-4,9-10,22H,5-8H2,(H,20,23)
Definition date:	2005-06-15
Last modified:	2011-06-04
Identifier:	N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]morpholine-4-carboxamide

JPJ

JPJ
Name:	2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL
Formula:	C20 H16 Cl2 O2
SMILES:	Clc3cc(Cl)ccc3Oc1ccc(cc1O)CCc2ccccc2
InChi:	InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2
Definition date:	2007-01-31
Last modified:	2011-06-04
Identifier:	2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol

JPM

JPM
Name:	5-benzyl-2-(2,4-dichlorophenoxy)phenol
Formula:	C19 H14 Cl2 O2
SMILES:	Clc3cc(Cl)ccc3Oc1ccc(cc1O)Cc2ccccc2
InChi:	InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2
Definition date:	2008-12-30
Last modified:	2011-06-04
Identifier:	5-benzyl-2-(2,4-dichlorophenoxy)phenol

JPN

JPN
Name:	2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL
Formula:	C21 H18 Cl2 O2
SMILES:	Clc3cc(Cl)ccc3Oc1ccc(cc1O)CCCc2ccccc2
InChi:	InChI=1S/C21H18Cl2O2/c22-17-10-12-20(18(23)14-17)25-21-11-9-16(13-19(21)24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,24H,4,7-8H2
Definition date:	2007-01-19
Last modified:	2011-06-04
Identifier:	2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol

JPZ

JPZ
Name:	quinazolin-4(1H)-one
Formula:	C8 H6 N2 O
SMILES:	O=C2N=CNc1ccccc12
InChi:	InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
Definition date:	2010-07-13
Last modified:	2011-06-04
Identifier:	quinazolin-4(1H)-one

JRR

JRR
Name:	6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
Formula:	C21 H29 F N4 O
SMILES:	Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:	InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
Definition date:	2010-06-24
Last modified:	2011-06-04
Identifier:	6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

JRS

JRS
Name:	6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
Formula:	C21 H29 F N4 O
SMILES:	Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:	InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20-/m0/s1
Definition date:	2010-06-24
Last modified:	2011-06-04
Identifier:	6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

JRZ

JRZ
Name:	(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol
Formula:	C17 H27 N O2
SMILES:	OC(C(NC(C)C)C)COc1ccc(c2c1CCC2)C
InChi:	InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16+/m0/s1
Definition date:	2010-08-02
Last modified:	2011-06-04
Identifier:	(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

JSR

JSR
Name:	6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
Formula:	C21 H29 F N4 O
SMILES:	Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:	InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20-/m1/s1
Definition date:	2010-06-24
Last modified:	2011-06-04
Identifier:	6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

JSS

JSS
Name:	6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
Formula:	C21 H29 F N4 O
SMILES:	Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:	InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m0/s1
Definition date:	2010-06-23
Last modified:	2011-06-04
Identifier:	6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

JT5

JT5
Name:	N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide
Formula:	C16 H18 N2 O5 S
SMILES:	O=C(NO)CN(CCO)S(=O)(=O)c2ccc(c1ccccc1)cc2
InChi:	InChI=1S/C16H18N2O5S/c19-11-10-18(12-16(20)17-21)24(22,23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19,21H,10-12H2,(H,17,20)
Definition date:	2007-08-14
Last modified:	2011-06-04
Identifier:	N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide

JT6

JT6
Name:	3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide
Formula:	C16 H14 N2 O3
SMILES:	N#Cc2ccc(c1ccc(OCCC(=O)NO)cc1)cc2
InChi:	InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
Definition date:	2007-08-14
Last modified:	2011-06-04
Identifier:	3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide

JTZ

JTZ
Name:	(2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol
Formula:	C15 H23 N O2
SMILES:	O(c1ccccc1CC=C)CC(O)CNC(C)C
InChi:	InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1
Definition date:	2010-07-20
Last modified:	2011-06-04
Identifier:	(2S)-1-(propan-2-ylamino)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol

JW5

JW5
Name:	6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C10 H15 N2 O10 P
SMILES:	O=C1NC(=O)N(C(=C1)CO)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C10H15N2O10P/c13-2-4-1-6(14)11-10(17)12(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,13,15-16H,2-3H2,(H,11,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
Definition date:	2007-06-29
Last modified:	2011-06-04
Identifier:	6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)

JZ6

JZ6
Name:	4-chloro-1H-pyrazole
Formula:	C3 H3 Cl N2
SMILES:	Clc1c[nH]nc1
InChi:	InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
Definition date:	2009-06-16
Last modified:	2011-06-04
Identifier:	4-chloro-1H-pyrazole

JZ8

JZ8
Name:	5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium
Formula:	C16 H15 N5
SMILES:	n1c(cc([n+]2c1[nH+]cn2)Nc4cc3ccccc3cc4)C
InChi:	InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,17,18,19,20)/p+2
Definition date:	2009-07-17
Last modified:	2011-06-04
Identifier:	5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium

JZB

JZB
Name:	(5E,9E,11E)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime]
Formula:	C24 H29 Cl N2 O6
SMILES:	O=C2OCCC=CCCC=CC(=NOCC(=O)N1CCCCC1)Cc3c2c(O)cc(O)c3Cl
InChi:	InChI=1S/C24H29ClN2O6/c25-23-18-14-17(26-33-16-21(30)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-32-24(31)22(18)19(28)15-20(23)29/h2,4,6,10,15,28-29H,1,3,5,7-9,11-14,16H2/b4-2+,10-6+,26-17-
Definition date:	2009-08-14
Last modified:	2011-06-04
Identifier:	(5E,9E,11E)-13-chloro-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one

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