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GH8

GH8
Name:	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide
Formula:	C30 H32 N2 O3
SMILES:	CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5
InChi:	InChI=1S/C30H32N2O3/c1-21(2)32-16-14-30(15-17-32)19-27(33)26-18-25(12-13-28(26)35-30)23-8-10-24(11-9-23)29(34)31-20-22-6-4-3-5-7-22/h3-13,18,21H,14-17,19-20H2,1-2H3,(H,31,34)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide

GHB

GHB
Name:	4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C16 H19 F3 N4 O
SMILES:	CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChi:	InChI=1S/C16H19F3N4O/c1-11(2)9-13-10-23(22-21-13)14-5-3-12(4-6-14)15(24)20-8-7-16(17,18)19/h3-6,10-11H,7-9H2,1-2H3,(H,20,24)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

GHK

GHK
Name:	4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide
Formula:	C15 H14 N2 O4 S2
SMILES:	N[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C15H14N2O4S2/c16-22(18,19)14-10-8-13(9-11-14)5-4-12-17-23(20,21)15-6-2-1-3-7-15/h1-3,6-11,17H,12H2,(H2,16,18,19)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide

GHN

GHN
Name:	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Formula:	C16 H17 F3 N2 O4 S2
SMILES:	CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
InChi:	InChI=1S/C16H17F3N2O4S2/c1-2-25-15(22)9-14-21-13(10-26-14)11-3-5-12(6-4-11)27(23,24)20-8-7-16(17,18)19/h3-6,10,20H,2,7-9H2,1H3
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate

GHQ

GHQ
Name:	~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C10 H10 F3 N O
SMILES:	FC(F)(F)CCNC(=O)c1ccccc1
InChi:	InChI=1S/C10H10F3NO/c11-10(12,13)6-7-14-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

GJ2

GJ2
Name:	4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
Formula:	C18 H17 F3 N2 O4 S2
SMILES:	FC(F)(F)CCN[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C18H17F3N2O4S2/c19-18(20,21)12-14-23-29(26,27)17-10-8-15(9-11-17)5-4-13-22-28(24,25)16-6-2-1-3-7-16/h1-3,6-11,22-23H,12-14H2
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide

GJ5

GJ5
Name:	4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C17 H19 F3 N2 O S
SMILES:	CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChi:	InChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

GJ8

GJ8
Name:	4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C20 H18 F3 N3 O3 S2
SMILES:	FC(F)(F)CCNC(=O)c1ccc(cc1)c2csc(CN[S](=O)(=O)c3ccccc3)n2
InChi:	InChI=1S/C20H18F3N3O3S2/c21-20(22,23)10-11-24-19(27)15-8-6-14(7-9-15)17-13-30-18(26-17)12-25-31(28,29)16-4-2-1-3-5-16/h1-9,13,25H,10-12H2,(H,24,27)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

GJE

GJE
Name:	4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C10 H9 F3 N4 O
SMILES:	FC(F)(F)CCNC(=O)c1ccc(cc1)N=[N+]=[N-]
InChi:	InChI=1S/C10H9F3N4O/c11-10(12,13)5-6-15-9(18)7-1-3-8(4-2-7)16-17-14/h1-4H,5-6H2,(H,15,18)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

E4K

E4K
Name:	7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid
Formula:	C29 H29 N O3
SMILES:	Cc1ccccc1c2cccc3c(CCCOc4cccc5CCCCc45)c([nH]c23)C(O)=O
InChi:	InChI=1S/C29H29NO3/c1-19-9-2-4-12-21(19)23-14-7-15-24-25(28(29(31)32)30-27(23)24)16-8-18-33-26-17-6-11-20-10-3-5-13-22(20)26/h2,4,6-7,9,11-12,14-15,17,30H,3,5,8,10,13,16,18H2,1H3,(H,31,32)
Definition date:	2018-02-19
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid

E4Q

E4Q
Name:	7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid
Formula:	C34 H35 N5 O3 S
SMILES:	Cn1nc(CSCc2nn(C)c(C)c2c3cccc4c(CCCOc5cccc6ccccc56)c([nH]c34)C(O)=O)cc1C
InChi:	InChI=1S/C34H35N5O3S/c1-21-18-24(36-38(21)3)19-43-20-29-31(22(2)39(4)37-29)28-14-8-13-26-27(33(34(40)41)35-32(26)28)15-9-17-42-30-16-7-11-23-10-5-6-12-25(23)30/h5-8,10-14,16,18,35H,9,15,17,19-20H2,1-4H3,(H,40,41)
Definition date:	2018-02-19
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid

E4W

E4W
Name:	AZD5991
Formula:	C35 H34 Cl N5 O3 S2
SMILES:	Cn1nc2CSCc3cc(CSc4cc(OCCCc5c6ccc(Cl)c(c6n(C)c5C(O)=O)c2c1C)c7ccccc7c4)n(C)n3
InChi:	InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)
Definition date:	2018-02-19
Last modified:	2018-12-21
Release date:	2018-12-26

2VN

2VN
Name:	2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
Formula:	C29 H46 N2 O3 S
SMILES:	O=C(NC1CCCCC1)N(CCc2ccc(SC(C(=O)O)(C)C)cc2)CCCCC3CCCCC3
InChi:	InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
Definition date:	2014-02-26
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid

90C

90C
Name:	4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
Formula:	C30 H36 N2 O2
SMILES:	CC(C)N1CCN(CC1)c2ccc(cc2)C(c3ccc(O)cc3)=C(CCCO)c4ccccc4
InChi:	InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
Definition date:	2017-11-16
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol

960

960
Name:	1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
Formula:	C16 H11 Cl N8 O2 S
SMILES:	c1(cnn(c1)C)c2cnc3c(c2)n(nc3)S(c5n4nc(Cl)ccc4nc5)(=O)=O
InChi:	InChI=1S/C16H11ClN8O2S/c1-23-9-11(6-20-23)10-4-13-12(18-5-10)7-21-25(13)28(26,27)16-8-19-15-3-2-14(17)22-24(15)16/h2-9H,1H3
Definition date:	2018-01-04
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine

9ZF

9ZF
Name:	1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea
Formula:	C17 H19 F3 N2 O
SMILES:	C3(NC(Nc1c(F)c(c(F)cc1)F)=O)C2CC4CC(C2)CC3C4
InChi:	InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)/t8-,9+,10-,11+,16-
Definition date:	2018-09-07
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	N-[(1R,3S,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-2-yl]-N'-(2,3,4-trifluorophenyl)urea

NY2

NY2
Name:	3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one
Formula:	C9 H5 Br N6 O3
SMILES:	O=[N+](c1c(nnc1)C2=CN3C(N=C2)=C(Br)C(=O)N3)[O-]
InChi:	InChI=1S/C9H5BrN6O3/c10-6-8-11-1-4(3-15(8)14-9(6)17)7-5(16(18)19)2-12-13-7/h1-3H,(H,12,13)(H,14,17)
Definition date:	2018-01-23
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one

HKK

HKK
Name:	~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide
Formula:	C11 H13 Cl N2 O3 S
SMILES:	C[S](=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2
InChi:	InChI=1S/C11H13ClN2O3S/c1-18(15,16)14-10-6-9(7-13-11(10)12)8-2-4-17-5-3-8/h2,6-7,14H,3-5H2,1H3
Definition date:	2018-12-12
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide

HKN

HKN
Name:	~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
Formula:	C22 H24 N4 O4 S
SMILES:	COc1ncc(cc1N[S](=O)(=O)c2cn(Cc3ccccc3)c(C)n2)C4=CCOCC4
InChi:	InChI=1S/C22H24N4O4S/c1-16-24-21(15-26(16)14-17-6-4-3-5-7-17)31(27,28)25-20-12-19(13-23-22(20)29-2)18-8-10-30-11-9-18/h3-8,12-13,15,25H,9-11,14H2,1-2H3
Definition date:	2018-12-12
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide

HKQ

HKQ
Name:	~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
Formula:	C17 H13 Cl N2 O2 S
SMILES:	Clc1ncc(cc1N[S](=O)(=O)c2ccccc2)c3ccccc3
InChi:	InChI=1S/C17H13ClN2O2S/c18-17-16(20-23(21,22)15-9-5-2-6-10-15)11-14(12-19-17)13-7-3-1-4-8-13/h1-12,20H
Definition date:	2018-12-13
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide

G5J

G5J
Name:	5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
Formula:	C11 H18 N5 O14 P3
SMILES:	C3(=NC(c2c(n(C1OC(C(O)C1O)COP(O)(=O)OP(O)(=O)OP(=O)(O)OC)cn2)N3)=O)N
InChi:	InChI=1S/C11H18N5O14P3/c1-26-31(20,21)29-33(24,25)30-32(22,23)27-2-4-6(17)7(18)10(28-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
Definition date:	2018-05-07
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine

CGM

CGM
Name:	(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside
Formula:	C31 H51 N O9
SMILES:	C1C(=O)OC(CC)C(C=C(C=CC(=O)C(C)CC(CC=O)C(C(C1O)C)OC2OC(C)C(C(C2O)N(C)C)O)C)C
InChi:	InChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1
Definition date:	2017-09-22
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside

GQ7

GQ7
Name:	[5-(4-aminophenyl)furan-2-yl]methanol
Formula:	C11 H11 N O2
SMILES:	Nc1ccc(cc1)c2oc(CO)cc2
InChi:	InChI=1S/C11H11NO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7,12H2
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	[5-(4-aminophenyl)furan-2-yl]methanol

GQJ

GQJ
Name:	methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Formula:	C11 H13 N O5
SMILES:	COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
InChi:	InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8+/m1/s1
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

GQM

GQM
Name:	5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol
Formula:	C10 H10 N2 O2
SMILES:	COc1ccc(c(O)c1)c2cc[nH]n2
InChi:	InChI=1S/C10H10N2O2/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12)
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol

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