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4YF

4YF
Name:	(2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
Formula:	C14 H20 Cl N4 O
SMILES:	CC1[NH2+]CCN(C1)CC(=O)N3CCc2c3cc(Cl)nc2
InChi:	InChI=1S/C14H19ClN4O/c1-10-8-18(5-3-16-10)9-14(20)19-4-2-11-7-17-13(15)6-12(11)19/h6-7,10,16H,2-5,8-9H2,1H3/p+1/t10-/m1/s1
Definition date:	2015-06-24
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium

4YL

4YL
Name:	(2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
Formula:	C18 H28 Cl N4 O2
SMILES:	COCC3C[NH2+]C(C)CN3CC(=O)N2CC(c1c2cc(Cl)nc1)(C)C
InChi:	InChI=1S/C18H27ClN4O2/c1-12-8-22(13(6-20-12)10-25-4)9-17(24)23-11-18(2,3)14-7-21-16(19)5-15(14)23/h5,7,12-13,20H,6,8-11H2,1-4H3/p+1/t12-,13-/m1/s1
Definition date:	2015-06-25
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium

4YN

4YN
Name:	(2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
Formula:	C25 H35 N4 O2
SMILES:	COCC4C[NH2+]C(C)CN4CC(=O)N3CC(c2c3cc(Cc1ccccc1)nc2)(C)C
InChi:	InChI=1S/C25H34N4O2/c1-18-14-28(21(12-26-18)16-31-4)15-24(30)29-17-25(2,3)22-13-27-20(11-23(22)29)10-19-8-6-5-7-9-19/h5-9,11,13,18,21,26H,10,12,14-17H2,1-4H3/p+1/t18-,21-/m1/s1
Definition date:	2015-06-25
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium

50N

50N
Name:	(1S)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol
Formula:	C10 H14 N3 O10 P
SMILES:	P(O)(OCC1OC(C(C1O)O)c2c(O)nc(c(c2)[N+]([O-])=O)N)(O)=O
InChi:	InChI=1S/C10H14N3O10P/c11-9-4(13(17)18)1-3(10(16)12-9)8-7(15)6(14)5(23-8)2-22-24(19,20)21/h1,5-8,14-15H,2H2,(H3,11,12,16)(H2,19,20,21)/t5-,6-,7-,8+/m1/s1
Definition date:	2015-07-08
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(1S)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol

51D

51D
Name:	3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
Formula:	C14 H7 Cl F N5
SMILES:	c1(c(cc(cc1Cl)C#N)c2ncnc(c2)n3cccn3)F
InChi:	InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H
Definition date:	2015-07-09
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile

51E

51E
Name:	3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile
Formula:	C16 H8 Cl F N4
SMILES:	c1c(cc(cc1Cl)C#N)c2ncnc(c2)c3ccc(cn3)F
InChi:	InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
Definition date:	2015-07-09
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile

PFO

PFO
Name:	4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine
Formula:	C22 H22 F N7 O
SMILES:	Fc1ccc(cc1)c3ncn(c3c2nc(ncc2)N)C5CCN(Cc4nocc4)CC5
InChi:	InChI=1S/C22H22FN7O/c23-16-3-1-15(2-4-16)20-21(19-5-9-25-22(24)27-19)30(14-26-20)18-6-10-29(11-7-18)13-17-8-12-31-28-17/h1-5,8-9,12,14,18H,6-7,10-11,13H2,(H2,24,25,27)
Definition date:	2014-06-18
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine

53K

53K
Name:	2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol
Formula:	C22 H19 N3 O2
SMILES:	n2(cc(c1ccccc1)nn2)Cc3ccc(c(c3)O)Oc4ccccc4C
InChi:	InChI=1S/C22H19N3O2/c1-16-7-5-6-10-21(16)27-22-12-11-17(13-20(22)26)14-25-15-19(23-24-25)18-8-3-2-4-9-18/h2-13,15,26H,14H2,1H3
Definition date:	2015-07-21
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol

620

620
Name:	N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine
Formula:	C15 H16 N6 O
SMILES:	n3nnn(NCc2cc(OCc1ccccc1)ccc2)c3N
InChi:	InChI=1S/C15H16N6O/c16-15-18-19-20-21(15)17-10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,17H,10-11H2,(H2,16,18,20)
Definition date:	2015-01-20
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine

691

691
Name:	N-(quinolin-3-yl)acetamide
Formula:	C11 H10 N2 O
SMILES:	O=C(C)Nc1cnc2c(c1)cccc2
InChi:	InChI=1S/C11H10N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3,(H,13,14)
Definition date:	2015-03-23
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	N-(quinolin-3-yl)acetamide

37V

37V
Name:	{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
Formula:	C17 H13 F N2 O4 S
SMILES:	O=C(O)COc1cc(F)ccc1C(=O)NCc2nc3ccccc3s2
InChi:	InChI=1S/C17H13FN2O4S/c18-10-5-6-11(13(7-10)24-9-16(21)22)17(23)19-8-15-20-12-3-1-2-4-14(12)25-15/h1-7H,8-9H2,(H,19,23)(H,21,22)
Definition date:	2014-07-01
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid

EL1

EL1
Name:	3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide
Formula:	C24 H24 Br N3 O5 S2
SMILES:	CNC(=O)c1ccc(cc1OC2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(C)=O
InChi:	InChI=1S/C24H24BrN3O5S2/c1-26-23(29)18-8-7-15(17-5-3-4-6-19(17)27-35(2,31)32)13-20(18)33-16-11-12-28(14-16)24(30)21-9-10-22(25)34-21/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1
Definition date:	2015-07-23
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide

0E1

0E1
Name:	(7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
Formula:	C12 H14 N2 O2
SMILES:	N#Cc1cc2c(nc1O)CC(OC2)C(C)C
InChi:	InChI=1S/C12H14N2O2/c1-7(2)11-4-10-9(6-16-11)3-8(5-13)12(15)14-10/h3,7,11H,4,6H2,1-2H3,(H,14,15)/t11-/m1/s1
Definition date:	2012-08-01
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

D7N

D7N
Name:	2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
Formula:	C20 H24 F3 N3 O2
SMILES:	NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C4CCC(F)(F)CC4)C(=O)c12
InChi:	InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
Definition date:	2015-04-15
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	2-[1-[4,4-bis(fluoranyl)cyclohexyl]piperidin-4-yl]-6-fluoranyl-3-oxidanylidene-1H-isoindole-4-carboxamide

4FS

4FS
Name:	quinolin-3-amine
Formula:	C9 H8 N2
SMILES:	c2c(N)cc1ccccc1n2
InChi:	InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
Definition date:	2015-03-17
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	quinolin-3-amine

4HR

4HR
Name:	(2-bromophenyl)methanol
Formula:	C7 H7 Br O
SMILES:	c1(CO)ccccc1Br
InChi:	InChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
Definition date:	2015-03-19
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(2-bromophenyl)methanol

4HU

4HU
Name:	(6-bromopyridin-2-yl)methanol
Formula:	C6 H6 Br N O
SMILES:	c1(cccc(Br)n1)CO
InChi:	InChI=1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2
Definition date:	2015-03-19
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(6-bromopyridin-2-yl)methanol

4HW

4HW
Name:	N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine
Formula:	C18 H16 N8
SMILES:	c1cc(ccc1)Nc2cc(ncn2)n3c(N)nc(n3)Nc4ccccc4
InChi:	InChI=1S/C18H16N8/c19-17-24-18(23-14-9-5-2-6-10-14)25-26(17)16-11-15(20-12-21-16)22-13-7-3-1-4-8-13/h1-12H,(H,20,21,22)(H3,19,23,24,25)
Definition date:	2015-03-20
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine

4HZ

4HZ
Name:	N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide
Formula:	C16 H13 Cl F4 N6 O
SMILES:	C(Nc1c(F)cnc(n1)c2cnc3c2cc(cn3)Cl)(C)C(NCC(F)(F)F)=O
InChi:	InChI=1S/C16H13ClF4N6O/c1-7(15(28)25-6-16(19,20)21)26-14-11(18)5-24-13(27-14)10-4-23-12-9(10)2-8(17)3-22-12/h2-5,7H,6H2,1H3,(H,22,23)(H,25,28)(H,24,26,27)/t7-/m0/s1
Definition date:	2015-03-20
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide

4JH

4JH
Name:	1-(3-bromophenyl)methanamine
Formula:	C7 H8 Br N
SMILES:	c1(cccc(c1)Br)CN
InChi:	InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
Definition date:	2015-03-23
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	1-(3-bromophenyl)methanamine

4JJ

4JJ
Name:	4-chlorobenzene-1,2-diamine
Formula:	C6 H7 Cl N2
SMILES:	c1cc(Cl)cc(c1N)N
InChi:	InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
Definition date:	2015-03-23
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	4-chlorobenzene-1,2-diamine

4JL

4JL
Name:	(4-chlorophenyl)methanol
Formula:	C7 H7 Cl O
SMILES:	Clc1ccc(cc1)CO
InChi:	InChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
Definition date:	2015-03-23
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(4-chlorophenyl)methanol

4JM

4JM
Name:	4-(methylsulfanyl)aniline
Formula:	C7 H9 N S
SMILES:	c1(SC)ccc(cc1)N
InChi:	InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
Definition date:	2015-03-23
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	4-(methylsulfanyl)aniline

4JN

4JN
Name:	6-bromopyridin-3-amine
Formula:	C5 H5 Br N2
SMILES:	c1c(ncc(c1)N)Br
InChi:	InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
Definition date:	2015-03-23
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	6-bromopyridin-3-amine

4JO

4JO
Name:	5-bromo-6-methylpyridin-2-amine
Formula:	C6 H7 Br N2
SMILES:	Brc1ccc(nc1C)N
InChi:	InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
Definition date:	2015-03-23
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	5-bromo-6-methylpyridin-2-amine

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