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J6A

J6A
Name:	(2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Formula:	C22 H23 F3 N2 O3
SMILES:	C1CCCCC1CC(=O)NC(c2ccc(cc2)c3cc(F)c(F)c(F)c3)C(=O)NO
InChi:	InChI=1S/C22H23F3N2O3/c23-17-11-16(12-18(24)20(17)25)14-6-8-15(9-7-14)21(22(29)27-30)26-19(28)10-13-4-2-1-3-5-13/h6-9,11-13,21,30H,1-5,10H2,(H,26,28)(H,27,29)/t21-/m1/s1
Definition date:	2018-08-14
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	(2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide

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

GFK

GFK
Name:	4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
Formula:	C19 H19 F3 N4 O3 S
SMILES:	COc1ccc2nc(sc2c1)c3noc(n3)C4CCN(CC4)C(=O)CCC(F)(F)F
InChi:	InChI=1S/C19H19F3N4O3S/c1-28-12-2-3-13-14(10-12)30-18(23-13)16-24-17(29-25-16)11-5-8-26(9-6-11)15(27)4-7-19(20,21)22/h2-3,10-11H,4-9H2,1H3
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one

GFQ

GFQ
Name:	4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C19 H23 F3 N2 O S
SMILES:	CC(C)CCCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChi:	InChI=1S/C19H23F3N2OS/c1-13(2)4-3-5-17-24-16(12-26-17)14-6-8-15(9-7-14)18(25)23-11-10-19(20,21)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

GFW

GFW
Name:	ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
Formula:	C18 H24 N2 O4 S2
SMILES:	CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(C)C
InChi:	InChI=1S/C18H24N2O4S2/c1-4-24-18(21)11-17-20-16(12-25-17)14-5-7-15(8-6-14)26(22,23)19-10-9-13(2)3/h5-8,12-13,19H,4,9-11H2,1-3H3
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate

GFZ

GFZ
Name:	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide
Formula:	C29 H30 N2 O3
SMILES:	CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5
InChi:	InChI=1S/C29H30N2O3/c1-20(2)31-16-14-29(15-17-31)19-26(32)25-18-23(12-13-27(25)34-29)21-8-10-22(11-9-21)28(33)30-24-6-4-3-5-7-24/h3-13,18,20H,14-17,19H2,1-2H3,(H,30,33)
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}-phenyl-benzamide

GGK

GGK
Name:	4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
Formula:	C13 H15 F3 N2 O4 S2
SMILES:	C[S](=O)(=O)NCC#Cc1ccc(cc1)[S](=O)(=O)NCCC(F)(F)F
InChi:	InChI=1S/C13H15F3N2O4S2/c1-23(19,20)17-9-2-3-11-4-6-12(7-5-11)24(21,22)18-10-8-13(14,15)16/h4-7,17-18H,8-10H2,1H3
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide

GGN

GGN
Name:	4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C21 H20 F3 N3 O S
SMILES:	CCCc1cc(ccn1)c2scc(n2)c3ccc(cc3)C(=O)NCCC(F)(F)F
InChi:	InChI=1S/C21H20F3N3OS/c1-2-3-17-12-16(8-10-25-17)20-27-18(13-29-20)14-4-6-15(7-5-14)19(28)26-11-9-21(22,23)24/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,26,28)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

GH2

GH2
Name:	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Formula:	C17 H17 F3 N2 O3 S
SMILES:	CCOC(=O)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChi:	InChI=1S/C17H17F3N2O3S/c1-2-25-15(23)9-14-22-13(10-26-14)11-3-5-12(6-4-11)16(24)21-8-7-17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,21,24)
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)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate

GH5

GH5
Name:	4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
Formula:	C17 H18 F3 N3 O2
SMILES:	FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)c3ccccc3
InChi:	InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

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

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

L6T

L6T
Name:	alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside
Formula:	C24 H46 O11
SMILES:	C1(OC(C(C(C1O)O)O)COCCCCCCCCCCCC)OC2C(C(C(C(CO)O2)O)O)O
InChi:	InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-14-16-18(27)20(29)22(31)24(34-16)35-23-21(30)19(28)17(26)15(13-25)33-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1
Definition date:	2018-07-23
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside

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

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

FVT

FVT
Name:	5-azanyl-4-oxidanylidene-pentanoic acid
Formula:	C5 H9 N O3
SMILES:	NCC(=O)CCC(O)=O
InChi:	InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
Definition date:	2018-08-01
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	5-azanyl-4-oxidanylidene-pentanoic acid

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

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