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4WL

4WL
Name:	4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID
Formula:	C7 H5 N O2 S
SMILES:	O=C(O)c2cc1sccc1n2
InChi:	InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
Definition date:	2013-02-15
Last modified:	2014-09-05
Release date:	2013-05-15
Identifier:	4H-thieno[3,2-b]pyrrole-5-carboxylic acid

4ZY

4ZY
Name:	4-(aminomethyl)aniline
Formula:	C7 H10 N2
SMILES:	NCc1ccc(N)cc1
InChi:	InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
Definition date:	2013-05-15
Last modified:	2014-09-05
Release date:	2014-05-28
Identifier:	4-(aminomethyl)aniline

50Q

50Q
Name:	5-(3,4-dichloro-phenoxy)-benzene-1,3-diol
Formula:	C12 H8 Cl2 O3
SMILES:	Clc2ccc(Oc1cc(O)cc(O)c1)cc2Cl
InChi:	InChI=1S/C12H8Cl2O3/c13-11-2-1-9(6-12(11)14)17-10-4-7(15)3-8(16)5-10/h1-6,15-16H
Definition date:	2013-05-30
Last modified:	2014-09-05
Release date:	2013-10-23
Identifier:	5-(3,4-dichlorophenoxy)benzene-1,3-diol

50T

50T
Name:	ADENOSINE-5'-PHOSPHOVANADATE
Formula:	C10 H17 N5 O11 P V
SMILES:	O=P(O[V](O)(O)(O)O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H14N5O7P.4H2O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20
Definition date:	2013-06-04
Last modified:	2014-09-05
Release date:	2013-07-17
Identifier:	vanadium(5+) hydroxide 5'-O-[(R)-hydroxyphosphinato]adenosine (1:4:1)

52C

52C
Name:	5-(2-CHLOROPHENYL)-1H-TETRAZOLE
Formula:	C7 H5 Cl N4
SMILES:	Clc1ccccc1c2nnnn2
InChi:	InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
Definition date:	2012-02-15
Last modified:	2014-09-05
Identifier:	5-(2-chlorophenyl)-1H-tetrazole

534

534
Name:	5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
Formula:	C27 H29 N7 O2 S
SMILES:	O=S(=O)(c2cc(c1cnc(nc1)N)ccc2)N5CCN(c3nccnc3c4ccc(cc4)C(C)C)CC5
InChi:	InChI=1S/C27H29N7O2S/c1-19(2)20-6-8-21(9-7-20)25-26(30-11-10-29-25)33-12-14-34(15-13-33)37(35,36)24-5-3-4-22(16-24)23-17-31-27(28)32-18-23/h3-11,16-19H,12-15H2,1-2H3,(H2,28,31,32)
Definition date:	2012-03-22
Last modified:	2014-09-05
Identifier:	5-{3-[(4-{3-[4-(propan-2-yl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine

54M

54M
Name:	(5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine
Formula:	C21 H20 N4 O
SMILES:	O(c1ccc(cc1)C2(N=C(N)CC2)c3cc(ccc3)c4cncnc4)C
InChi:	InChI=1S/C21H20N4O/c1-26-19-7-5-17(6-8-19)21(10-9-20(22)25-21)18-4-2-3-15(11-18)16-12-23-14-24-13-16/h2-8,11-14H,9-10H2,1H3,(H2,22,25)/t21-/m1/s1
Definition date:	2012-08-16
Last modified:	2014-09-05
Release date:	2013-06-26
Identifier:	(2R)-2-(4-methoxyphenyl)-2-[3-(pyrimidin-5-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

21O

21O
Name:	{(1R)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid
Formula:	C19 H15 F3 O5
SMILES:	FC(F)(F)c2ccc(C(=O)CC(c1ccccc1)C(C(=O)O)C(=O)O)cc2
InChi:	InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)/t14-/m0/s1
Definition date:	2012-05-30
Last modified:	2014-09-05
Release date:	2012-09-28
Identifier:	{(1R)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid

21T

21T
Name:	4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid
Formula:	C25 H31 N3 O3
SMILES:	O=C(O)c1ccc(cc1)n2ncc(c2C(C)(C)C)C(=O)NC5C3CC4CC(C3)CC5C4
InChi:	InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)/t14-,15+,17-,18+,21-
Definition date:	2014-03-07
Last modified:	2014-09-05
Release date:	2014-04-30
Identifier:	4-{5-tert-butyl-4-[(1R,2s,3S,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-ylcarbamoyl]-1H-pyrazol-1-yl}benzoic acid

22T

22T
Name:	7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one
Formula:	C13 H13 Cl N2 O2
SMILES:	O=C3NC=Cc2cc(OC1CCNC1)c(Cl)cc23
InChi:	InChI=1S/C13H13ClN2O2/c14-11-6-10-8(1-4-16-13(10)17)5-12(11)18-9-2-3-15-7-9/h1,4-6,9,15H,2-3,7H2,(H,16,17)/t9-/m0/s1
Definition date:	2013-02-05
Last modified:	2014-09-05
Release date:	2013-05-22
Identifier:	7-chloro-6-[(3S)-pyrrolidin-3-yloxy]isoquinolin-1(2H)-one

24Q

24Q
Name:	6-(cyclohexylmethyl)-N-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide
Formula:	C28 H31 N3 O4 S
SMILES:	O=S(=O)(NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3nc(ccc3)CC4CCCCC4)C
InChi:	InChI=1S/C28H31N3O4S/c1-36(34,35)31-27(32)22-15-16-25(23(19-22)17-20-9-4-2-5-10-20)30-28(33)26-14-8-13-24(29-26)18-21-11-6-3-7-12-21/h2,4-5,8-10,13-16,19,21H,3,6-7,11-12,17-18H2,1H3,(H,30,33)(H,31,32)
Definition date:	2014-03-12
Last modified:	2014-09-05
Release date:	2014-07-16
Identifier:	N-{2-benzyl-4-[(methylsulfonyl)carbamoyl]phenyl}-6-(cyclohexylmethyl)pyridine-2-carboxamide

24V

24V
Name:	9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine
Formula:	C23 H26 N8
SMILES:	n1cc(ccc1Nc4nc3n(c2c(ccnc2)c3cn4)C5CCCC5)N6CCNCC6
InChi:	InChI=1S/C23H26N8/c1-2-4-16(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-21-6-5-17(13-26-21)30-11-9-24-10-12-30/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)
Definition date:	2014-03-13
Last modified:	2014-09-05
Release date:	2014-04-30
Identifier:	9-cyclopentyl-N-[5-(piperazin-1-yl)pyridin-2-yl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine

25G

25G
Name:	N-[2-benzyl-4-(1H-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
Formula:	C27 H28 N6 O
SMILES:	O=C(c1nc(ccc1)CC2CCCCC2)Nc4c(cc(c3nnnn3)cc4)Cc5ccccc5
InChi:	InChI=1S/C27H28N6O/c34-27(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(26-30-32-33-31-26)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,34)(H,30,31,32,33)
Definition date:	2014-03-14
Last modified:	2014-09-05
Release date:	2014-07-23
Identifier:	N-[2-benzyl-4-(1H-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide

25Q

25Q
Name:	2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:	C18 H15 N5 O2
SMILES:	O=C(c2c1nc4ccccc4nc1n(c2N)c3cccc(OC)c3)N
InChi:	InChI=1S/C18H15N5O2/c1-25-11-6-4-5-10(9-11)23-16(19)14(17(20)24)15-18(23)22-13-8-3-2-7-12(13)21-15/h2-9H,19H2,1H3,(H2,20,24)
Definition date:	2014-03-14
Last modified:	2014-09-05
Release date:	2014-08-13
Identifier:	2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

27F

27F
Name:	4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE
Formula:	C15 H9 N3 O
SMILES:	N#Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChi:	InChI=1S/C15H9N3O/c16-9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,(H,17,18,19)
Definition date:	2013-06-20
Last modified:	2014-09-05
Release date:	2013-10-30
Identifier:	4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzonitrile

2A8

2A8
Name:	2-AMINO-PHENYLAMINO-DIBENZOSUBERONE
Formula:	C21 H18 N2 O
SMILES:	O=C3c2c(cc(Nc1ccccc1N)cc2)CCc4c3cccc4
InChi:	InChI=1S/C21H18N2O/c22-19-7-3-4-8-20(19)23-16-11-12-18-15(13-16)10-9-14-5-1-2-6-17(14)21(18)24/h1-8,11-13,23H,9-10,22H2
Definition date:	2011-08-18
Last modified:	2014-09-05
Identifier:	2-[(2-aminophenyl)amino]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one

2B4

2B4
Name:	2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID
Formula:	C9 H7 Br O5
SMILES:	Brc1ccc(OC(C(=O)O)C(=O)O)cc1
InChi:	InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14)
Definition date:	2012-02-16
Last modified:	2014-09-05
Identifier:	(4-bromophenoxy)propanedioic acid

2B8

2B8
Name:	(5R)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid
Formula:	C14 H23 N3 O2
SMILES:	O=C(O)C2(CCc1c(ncn1CCC)C2)CCCN
InChi:	InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1
Definition date:	2014-03-19
Last modified:	2014-09-05
Release date:	2014-08-13
Identifier:	(5R)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid

BO5

BO5
Name:	(9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE
Formula:	C19 H24 Cl N O4
SMILES:	O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCCCC=CCCN2C
InChi:	InChI=1S/C19H24ClNO4/c1-21-10-8-6-4-2-3-5-7-9-13(22)11-14-17(19(21)25)15(23)12-16(24)18(14)20/h4,6,12,23-24H,2-3,5,7-11H2,1H3/b6-4+
Definition date:	2013-11-08
Last modified:	2014-09-05
Release date:	2014-01-29
Identifier:	(5E)-14-chloro-15,17-dihydroxy-2-methyl-2,3,4,7,8,9,10,11-octahydro-1H-2-benzazacyclopentadecine-1,12(13H)-dione

BR8

BR8
Name:	BARBITURIC ACID
Formula:	C4 H4 N2 O3
SMILES:	O=C1NC(=O)NC(=O)C1
InChi:	InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
Definition date:	2012-12-19
Last modified:	2014-09-05
Release date:	2013-05-22
Identifier:	pyrimidine-2,4,6(1H,3H,5H)-trione

BU6

BU6
Name:	5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide
Formula:	C14 H16 Cl F N4 O2 S
SMILES:	Clc1cc(c(F)cc1)S(=O)(=O)Nc2cn(nc2)C3CCNCC3
InChi:	InChI=1S/C14H16ClFN4O2S/c15-10-1-2-13(16)14(7-10)23(21,22)19-11-8-18-20(9-11)12-3-5-17-6-4-12/h1-2,7-9,12,17,19H,3-6H2
Definition date:	2013-06-25
Last modified:	2014-09-05
Release date:	2014-07-16
Identifier:	5-chloro-2-fluoro-N-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]benzenesulfonamide

F9J

F9J
Name:	5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE
Formula:	C18 H20 F2 N8 O2
SMILES:	Fc1cnc(nc1)C(Oc3nc(nc(N2CCOCC2)c3F)Nc4cc(nn4)C)C
InChi:	InChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1
Definition date:	2013-02-11
Last modified:	2014-09-05
Release date:	2013-04-17
Identifier:	5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-2-amine

8Y6

8Y6
Name:	4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
Formula:	C25 H14 F2 N4 O5
SMILES:	O=C1c2cc(c(F)cc2N=CN1)Cn4c(c(c5c3occc3c(F)cc45)C6=CC=CNC6=O)C(=O)O
InChi:	InChI=1S/C25H14F2N4O5/c26-15-7-17-14(24(33)30-10-29-17)6-11(15)9-31-18-8-16(27)12-3-5-36-22(12)20(18)19(21(31)25(34)35)13-2-1-4-28-23(13)32/h1-8,10H,9H2,(H,28,32)(H,34,35)(H,29,30,33)
Definition date:	2012-10-24
Last modified:	2014-09-05
Release date:	2013-10-09
Identifier:	4-fluoro-6-[(7-fluoro-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]-8-(2-oxo-1,2-dihydropyridin-3-yl)-6H-furo[2,3-e]indole-7-carboxylic acid

91F

91F
Name:	2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one
Formula:	C15 H12 N2 O S
SMILES:	O=C2c3ccccc3N=C(c1ccc(SC)cc1)N2
InChi:	InChI=1S/C15H12N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
Definition date:	2013-06-20
Last modified:	2014-09-05
Release date:	2013-10-30
Identifier:	2-[4-(methylsulfanyl)phenyl]quinazolin-4(3H)-one

92P

92P
Name:	1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID
Formula:	C9 H8 N2 O2
SMILES:	O=C(OC)c2c1cccnc1nc2
InChi:	InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-6(7)3-2-4-10-8/h2-5H,1H3,(H,10,11)
Definition date:	2013-02-04
Last modified:	2014-09-05
Release date:	2013-05-22
Identifier:	methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate

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