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J20

J20
Name:	1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde
Formula:	C36 H26 O5
SMILES:	COc1ccc(cc1)C2(c3ccc(OC)cc3)c4cc(O)ccc4c5ccc(C=O)c(C#Cc6ccc(O)cc6)c25
InChi:	InChI=1S/C36H26O5/c1-40-29-14-7-25(8-15-29)36(26-9-16-30(41-2)17-10-26)34-21-28(39)13-20-32(34)33-19-6-24(22-37)31(35(33)36)18-5-23-3-11-27(38)12-4-23/h3-4,6-17,19-22,38-39H,1-2H3
Definition date:	2016-11-25
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde

7F9

7F9
Name:	~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
Formula:	C18 H20 N2 O5
SMILES:	CCNC(=O)CN(C(=O)c1ccc(O)cc1O)c2ccc(OC)cc2
InChi:	InChI=1S/C18H20N2O5/c1-3-19-17(23)11-20(12-4-7-14(25-2)8-5-12)18(24)15-9-6-13(21)10-16(15)22/h4-10,21-22H,3,11H2,1-2H3,(H,19,23)
Definition date:	2016-10-18
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide

7FE

7FE
Name:	~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
Formula:	C30 H29 Cl N4 O3
SMILES:	Cc1cnc(Cl)nc1c2ccc(cc2)N(Cc3ccc(CN4CCCC4)cc3)C(=O)c5ccc(O)cc5O
InChi:	InChI=1S/C30H29ClN4O3/c1-20-17-32-30(31)33-28(20)23-8-10-24(11-9-23)35(29(38)26-13-12-25(36)16-27(26)37)19-22-6-4-21(5-7-22)18-34-14-2-3-15-34/h4-13,16-17,36-37H,2-3,14-15,18-19H2,1H3
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

7FF

7FF
Name:	methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate
Formula:	C11 H14 N2 O2
SMILES:	COC(=O)N1CCCc2cc(N)ccc12
InChi:	InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	methyl 6-azanyl-3,4-dihydro-2~{H}-quinoline-1-carboxylate

7FU

7FU
Name:	2-Hydrazino-1,3-benzothiazole-6-carbohydrazide
Formula:	C8 H9 N5 O S
SMILES:	NNC(=O)c1ccc2nc(NN)sc2c1
InChi:	InChI=1S/C8H9N5OS/c9-12-7(14)4-1-2-5-6(3-4)15-8(11-5)13-10/h1-3H,9-10H2,(H,11,13)(H,12,14)
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2-diazanyl-1,3-benzothiazole-6-carbohydrazide

7FV

7FV
Name:	[2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone
Formula:	C27 H24 N2 O3
SMILES:	C[CH]1CCc2cc(ccc2N1C(=O)c3ccc(O)cc3O)c4nc5ccccc5cc4C
InChi:	InChI=1S/C27H24N2O3/c1-16-13-18-5-3-4-6-23(18)28-26(16)20-9-12-24-19(14-20)8-7-17(2)29(24)27(32)22-11-10-21(30)15-25(22)31/h3-6,9-15,17,30-31H,7-8H2,1-2H3/t17-/m0/s1
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone

7FW

7FW
Name:	~{N}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{N}-(phenylmethyl)benzamide
Formula:	C31 H26 N4 O4
SMILES:	CN(Cc1ccc2nccnc2c1)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(O)cc5O
InChi:	InChI=1S/C31H26N4O4/c1-34(19-22-7-14-27-28(17-22)33-16-15-32-27)30(38)23-8-10-24(11-9-23)35(20-21-5-3-2-4-6-21)31(39)26-13-12-25(36)18-29(26)37/h2-18,36-37H,19-20H2,1H3
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	~{N}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{N}-(phenylmethyl)benzamide

7FX

7FX
Name:	[2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
Formula:	C14 H12 F3 N3 O3
SMILES:	Oc1ccc(c(O)c1)C(=O)N2CC[CH](n3nccc23)C(F)(F)F
InChi:	InChI=1S/C14H12F3N3O3/c15-14(16,17)11-4-6-19(12-3-5-18-20(11)12)13(23)9-2-1-8(21)7-10(9)22/h1-3,5,7,11,21-22H,4,6H2/t11-/m0/s1
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

7HF

7HF
Name:	1-[(3S,4R)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea
Formula:	C26 H31 F2 N5 O3
SMILES:	CCOc1nn(c2ccccc2)c(NC(=O)N[CH]3CN(CCOC)C[CH]3c4ccc(F)c(F)c4)c1C
InChi:	InChI=1S/C26H31F2N5O3/c1-4-36-25-17(2)24(33(31-25)19-8-6-5-7-9-19)30-26(34)29-23-16-32(12-13-35-3)15-20(23)18-10-11-21(27)22(28)14-18/h5-11,14,20,23H,4,12-13,15-16H2,1-3H3,(H2,29,30,34)/t20-,23+/m0/s1
Definition date:	2016-10-31
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-[(3~{S},4~{R})-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea

7KU

7KU
Name:	1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
Formula:	C14 H19 N5 O
SMILES:	n3c2ncnc(NC1CCCN(C1)C(CC)=O)c2cc3
InChi:	InChI=1S/C14H19N5O/c1-2-12(20)19-7-3-4-10(8-19)18-14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,16,17,18)/t10-/m1/s1
Definition date:	2016-11-07
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one

7KV

7KV
Name:	1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one
Formula:	C16 H21 N5 O
SMILES:	n2c1ncnc(c1cc2)N3CCC4C3CN(C(=O)CC)CC4
InChi:	InChI=1S/C16H21N5O/c1-2-14(22)20-7-4-11-5-8-21(13(11)9-20)16-12-3-6-17-15(12)18-10-19-16/h3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,17,18,19)/t11-,13-/m0/s1
Definition date:	2016-11-07
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one

7KX

7KX
Name:	N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
Formula:	C15 H14 N4 O
SMILES:	n2cnc(c1cccc(c1)NC(CC)=O)c3c2ncc3
InChi:	InChI=1S/C15H14N4O/c1-2-13(20)19-11-5-3-4-10(8-11)14-12-6-7-16-15(12)18-9-17-14/h3-9H,2H2,1H3,(H,19,20)(H,16,17,18)
Definition date:	2016-11-07
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide

67T

67T
Name:	2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile
Formula:	C21 H17 Cl N8 O
SMILES:	C2(=O)c1c(cccc1Cl)N=C(N2c3ccccc3)C(C)Nc4c(C#N)c(nc(n4)N)N
InChi:	InChI=1S/C21H17ClN8O/c1-11(26-18-13(10-23)17(24)28-21(25)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H5,24,25,26,28,29)/t11-/m0/s1
Definition date:	2016-02-15
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile

68O

68O
Name:	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol
Formula:	C14 H12 F2 O2
SMILES:	Fc1c(cccc1)Oc2cc(F)c(CC)cc2O
InChi:	InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3
Definition date:	2016-02-17
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol

68R

68R
Name:	2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one
Formula:	C25 H19 Cl N8 O
SMILES:	C2(N(c1ccccc1)C(=Nc3cccc(Cl)c23)C(C)Nc4c(c(N)ncn4)C#Cc5cnnc5)=O
InChi:	InChI=1S/C25H19ClN8O/c1-15(32-23-18(22(27)28-14-29-23)11-10-16-12-30-31-13-16)24-33-20-9-5-8-19(26)21(20)25(35)34(24)17-6-3-2-4-7-17/h2-9,12-15H,1H3,(H,30,31)(H3,27,28,29,32)/t15-/m0/s1
Definition date:	2016-02-17
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one

69H

69H
Name:	4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol
Formula:	C19 H23 F O2
SMILES:	CCCCCCc1c(F)cc(c(c1)O)Oc2ccccc2C
InChi:	InChI=1S/C19H23FO2/c1-3-4-5-6-10-15-12-17(21)19(13-16(15)20)22-18-11-8-7-9-14(18)2/h7-9,11-13,21H,3-6,10H2,1-2H3
Definition date:	2016-02-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol

69J

69J
Name:	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol
Formula:	C14 H12 F N O4
SMILES:	[O-][N+](=O)c1ccccc1Oc2cc(F)c(cc2O)CC
InChi:	InChI=1S/C14H12FNO4/c1-2-9-7-12(17)14(8-10(9)15)20-13-6-4-3-5-11(13)16(18)19/h3-8,17H,2H2,1H3
Definition date:	2016-02-21
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol

69K

69K
Name:	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
Formula:	C14 H14 F N O2
SMILES:	Cc1ncccc1Oc2cc(F)c(cc2O)CC
InChi:	InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3
Definition date:	2016-02-21
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol

6AQ

6AQ
Name:	1-(4-fluorophenyl)-1H-imidazole
Formula:	C9 H7 F N2
SMILES:	c2ncn(c1ccc(F)cc1)c2
InChi:	InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-(4-fluorophenyl)-1H-imidazole

6AR

6AR
Name:	1-(4-bromophenyl)-1H-imidazole
Formula:	C9 H7 Br N2
SMILES:	Brc1ccc(cc1)n2ccnc2
InChi:	InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-(4-bromophenyl)-1H-imidazole

6AV

6AV
Name:	5-chloro-2-(1H-imidazol-1-yl)aniline
Formula:	C9 H8 Cl N3
SMILES:	n2(c1ccc(Cl)cc1N)ccnc2
InChi:	InChI=1S/C9H8ClN3/c10-7-1-2-9(8(11)5-7)13-4-3-12-6-13/h1-6H,11H2
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-chloro-2-(1H-imidazol-1-yl)aniline

6AX

6AX
Name:	5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Formula:	C9 H8 Cl N3 O
SMILES:	c2(Cl)ccc(Cc1nnc(N)o1)cc2
InChi:	InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine

6AY

6AY
Name:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C13 H12 Cl N5
SMILES:	c1cc(Cl)ccc1CNc2c3c(ncn2)n(C)nc3
InChi:	InChI=1S/C13H12ClN5/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

6B1

6B1
Name:	(5,6-dichloro-1H-benzimidazol-2-yl)methanol
Formula:	C8 H6 Cl2 N2 O
SMILES:	c2(cc1nc(nc1cc2Cl)CO)Cl
InChi:	InChI=1S/C8H6Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(3-13)11-6/h1-2,13H,3H2,(H,11,12)
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	(5,6-dichloro-1H-benzimidazol-2-yl)methanol

6BM

6BM
Name:	[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid
Formula:	C5 H10 N O5 P
SMILES:	N1(O)CCCC(C1=O)P(O)(=O)O
InChi:	InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)/t4-/m0/s1
Definition date:	2016-03-02
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid

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