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8B6

8B6
Name:	4-oxidanylfuro[3,2-g]chromen-7-one
Formula:	C11 H6 O4
SMILES:	Oc1c2ccoc2cc3OC(=O)C=Cc13
InChi:	InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
Definition date:	2017-05-30
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	4-oxidanylfuro[3,2-g]chromen-7-one

B5M

B5M
Name:	9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine
Formula:	C18 H20 N5 O9 P
SMILES:	C2(COP(OC(=O)c1c(C)cccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34
InChi:	InChI=1S/C18H20N5O9P/c1-8-3-2-4-9(24)11(8)18(27)32-33(28,29)30-5-10-13(25)14(26)17(31-10)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,10,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t10-,13+,14+,17+/m0/s1
Definition date:	2017-08-01
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine

B5V

B5V
Name:	9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine
Formula:	C17 H18 N5 O9 P
SMILES:	C2(COP(OC(=O)c1ccccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34
InChi:	InChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/t10-,12+,13+,16+/m0/s1
Definition date:	2017-08-01
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine

B5Y

B5Y
Name:	9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine
Formula:	C18 H20 N5 O9 P
SMILES:	C2(COP(OC(=O)c1cc(C)ccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(ncnc34)N
InChi:	InChI=1S/C18H20N5O9P/c1-8-2-3-10(24)9(4-8)18(27)32-33(28,29)30-5-11-13(25)14(26)17(31-11)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,11,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t11-,13+,14+,17+/m0/s1
Definition date:	2017-08-01
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine

CJN

CJN
Name:	~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
Formula:	C17 H27 N5
SMILES:	CC(C)n1ccc2ncnc(N[CH]3CC[CH](CC3)N(C)C)c12
InChi:	InChI=1S/C17H27N5/c1-12(2)22-10-9-15-16(22)17(19-11-18-15)20-13-5-7-14(8-6-13)21(3)4/h9-14H,5-8H2,1-4H3,(H,18,19,20)/t13-,14-
Definition date:	2017-11-28
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

CJQ

CJQ
Name:	2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide
Formula:	C21 H28 N4 O3 S
SMILES:	NC(=O)C[CH]1CCc2sc3ncnc(O[CH]4CC[CH](CC4)N5CCOCC5)c3c12
InChi:	InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1
Definition date:	2017-11-28
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide

CJT

CJT
Name:	4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide
Formula:	C21 H32 N6 O
SMILES:	CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc([CH]4CC[CH](CC4)C(N)=O)c23
InChi:	InChI=1S/C21H32N6O/c1-27(2)16-9-7-15(8-10-16)26-21-18-17(11-23-20(18)24-12-25-21)13-3-5-14(6-4-13)19(22)28/h11-16H,3-10H2,1-2H3,(H2,22,28)(H2,23,24,25,26)/t13-,14-,15-,16-
Definition date:	2017-11-28
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide

5UU

5UU
Name:	6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
Formula:	C19 H16 Cl F N2
SMILES:	Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1
InChi:	InChI=1S/C19H16ClFN2/c20-12-5-10-16-18(11-12)23-17-4-2-1-3-15(17)19(16)22-14-8-6-13(21)7-9-14/h5-11H,1-4H2,(H,22,23)
Definition date:	2015-12-03
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine

5UV

5UV
Name:	7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine
Formula:	C19 H15 Cl2 F N2
SMILES:	Fc1ccc(Nc2c3CCCCc3nc4ccc(Cl)cc24)cc1Cl
InChi:	InChI=1S/C19H15Cl2FN2/c20-11-5-8-18-14(9-11)19(13-3-1-2-4-17(13)24-18)23-12-6-7-16(22)15(21)10-12/h5-10H,1-4H2,(H,23,24)
Definition date:	2015-12-03
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine

5UW

5UW
Name:	~{N}-(3,3-diphenylpropyl)piperidin-4-amine
Formula:	C20 H26 N2
SMILES:	C1CC(CCN1)NCCC(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C20H26N2/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19/h1-10,19-22H,11-16H2
Definition date:	2015-12-03
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	~{N}-(3,3-diphenylpropyl)piperidin-4-amine

5UX

5UX
Name:	6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine
Formula:	C19 H15 Cl2 F N2
SMILES:	Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1Cl
InChi:	InChI=1S/C19H15Cl2FN2/c20-11-5-7-14-18(9-11)24-17-4-2-1-3-13(17)19(14)23-12-6-8-16(22)15(21)10-12/h5-10H,1-4H2,(H,23,24)
Definition date:	2015-12-03
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine

CKN

CKN
Name:	(3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide
Formula:	C22 H33 N7 O2
SMILES:	C[CH](CC(N)=O)c1ccn2ncnc(N[CH]3CC[CH](CC3)N4CCN(CC4)C(C)=O)c12
InChi:	InChI=1S/C22H33N7O2/c1-15(13-20(23)31)19-7-8-29-21(19)22(24-14-25-29)26-17-3-5-18(6-4-17)28-11-9-27(10-12-28)16(2)30/h7-8,14-15,17-18H,3-6,9-13H2,1-2H3,(H2,23,31)(H,24,25,26)/t15-,17-,18-/m1/s1
Definition date:	2017-11-28
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	(3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide

0B6

0B6
Name:	~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
Formula:	C19 H15 F2 N5 O2
SMILES:	C[C]1(C=C(CF)OC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F
InChi:	InChI=1S/C19H15F2N5O2/c1-19(7-13(8-20)28-18(23)26-19)14-6-12(3-4-15(14)21)25-17(27)16-5-2-11(9-22)10-24-16/h2-7,10H,8H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1
Definition date:	2017-09-28
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide

E9T

E9T
Name:	6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid
Formula:	C27 H26 O3
SMILES:	OC(=O)c1ccc2cc(ccc2c1)c3ccc(O)c(c3)C45CC6CC(CC(C6)C4)C5
InChi:	InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)/t16-,17+,18-,27-
Definition date:	2018-03-09
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid

EGW

EGW
Name:	4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide
Formula:	C25 H23 F N2 O3
SMILES:	NC(=O)c1ccc(Oc2cccc(c2)C(=O)N3CCC(CC3)c4ccc(F)cc4)cc1
InChi:	InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)
Definition date:	2018-03-20
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide

AZQ

AZQ
Name:	AZAPROPAZONE
Formula:	C16 H20 N4 O2
SMILES:	CCC[CH]1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C
InChi:	InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3/t11-/m0/s1
Definition date:	2005-07-25
Last modified:	2018-05-18
Identifier:	5-(dimethylamino)-9-methyl-2-propyl-pyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione

EO7

EO7
Name:	2-chloro-5'-O-sulfamoyladenosine
Formula:	C10 H13 Cl N6 O6 S
SMILES:	c2n(c1c(c(nc(n1)Cl)N)n2)C3C(C(C(O3)COS(N)(=O)=O)O)O
InChi:	InChI=1S/C10H13ClN6O6S/c11-10-15-7(12)4-8(16-10)17(2-14-4)9-6(19)5(18)3(23-9)1-22-24(13,20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,15,16)(H2,13,20,21)/t3-,5-,6-,9-/m1/s1
Definition date:	2018-01-24
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	2-chloro-5'-O-sulfamoyladenosine

EUN

EUN
Name:	2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
Formula:	C19 H15 N3 O
SMILES:	CC1=Nc2ccc(c(C)c2C(=O)N1)c3ccnc4ccccc34
InChi:	InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)
Definition date:	2018-04-19
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one

EZ1

EZ1
Name:	4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
Formula:	C9 H11 N O2 S Se
SMILES:	c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O
InChi:	InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
Definition date:	2018-02-13
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide

EZN

EZN
Name:	[3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine
Formula:	C15 H13 Cl N2
SMILES:	NCc1cc(Cl)cc(c1)c2cccc3[nH]ccc23
InChi:	InChI=1S/C15H13ClN2/c16-12-7-10(9-17)6-11(8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,18H,9,17H2
Definition date:	2018-05-11
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	[3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine

F51

F51
Name:	2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
Formula:	C22 H16 N2 O2
SMILES:	n2cc1nc(c(C)c(c1cc2)C(O)=O)c3ccc(cc3)c4ccccc4
InChi:	InChI=1S/C22H16N2O2/c1-14-20(22(25)26)18-11-12-23-13-19(18)24-21(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)
Definition date:	2018-02-27
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid

F54

F54
Name:	2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid
Formula:	C23 H16 Cl F N2 O2
SMILES:	c2(c1ccc(C)nc1Cl)ccc(cc2)c4nc3ccc(F)cc3c(c4C)C(=O)O
InChi:	InChI=1S/C23H16ClFN2O2/c1-12-3-9-17(22(24)26-12)14-4-6-15(7-5-14)21-13(2)20(23(28)29)18-11-16(25)8-10-19(18)27-21/h3-11H,1-2H3,(H,28,29)
Definition date:	2018-02-27
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid

F8V

F8V
Name:	(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
Formula:	C35 H35 F N8 O2 S
SMILES:	O=C(N1CCN(CC1)c2ccc(cc2)c3ncccn3)CN4CC(CC4)(SC)C(=O)Nc7cc6c(c5ccc(cc5)F)nnc6cc7
InChi:	InChI=1S/C35H35FN8O2S/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1
Definition date:	2018-03-16
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide

G6J

G6J
Name:	(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one
Formula:	C19 H23 F2 N5 O2
SMILES:	c3(F)cc(Nc1nc2c(cn1)N(C(=O)C(C)N2CCC)CCC)cc(c3O)F
InChi:	InChI=1S/C19H23F2N5O2/c1-4-6-25-11(3)18(28)26(7-5-2)15-10-22-19(24-17(15)25)23-12-8-13(20)16(27)14(21)9-12/h8-11,27H,4-7H2,1-3H3,(H,22,23,24)/t11-/m1/s1
Definition date:	2018-05-10
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one

G6Y

G6Y
Name:	3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid
Formula:	C24 H24 N4 O3
SMILES:	c1(nc(nc(c1C#CC(c2cc(cc(c2)OC)c3ccc(cc3)C(O)=O)C)N)N)CC
InChi:	InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1
Definition date:	2018-05-11
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid

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