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J1V

J1V
Name:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide
Formula:	C21 H21 F3 N2 O3
SMILES:	C1C(CCCC1)C(NC(c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO)=O
InChi:	InChI=1S/C21H21F3N2O3/c22-16-10-15(11-17(23)18(16)24)12-6-8-13(9-7-12)19(21(28)26-29)25-20(27)14-4-2-1-3-5-14/h6-11,14,19,29H,1-5H2,(H,25,27)(H,26,28)/t19-/m1/s1
Definition date:	2018-08-03
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide

J2D

J2D
Name:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide
Formula:	C20 H19 F3 N2 O4
SMILES:	C1COCCC1C(=O)NC(C(=O)NO)c2ccc(cc2)c3cc(F)c(c(c3)F)F
InChi:	InChI=1S/C20H19F3N2O4/c21-15-9-14(10-16(22)17(15)23)11-1-3-12(4-2-11)18(20(27)25-28)24-19(26)13-5-7-29-8-6-13/h1-4,9-10,13,18,28H,5-8H2,(H,24,26)(H,25,27)/t18-/m1/s1
Definition date:	2018-08-03
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide

J4P

J4P
Name:	(2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Formula:	C21 H21 F3 N2 O3
SMILES:	N(C(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)C(CC3CCCC3)=O
InChi:	InChI=1S/C21H21F3N2O3/c22-16-10-15(11-17(23)19(16)24)13-5-7-14(8-6-13)20(21(28)26-29)25-18(27)9-12-3-1-2-4-12/h5-8,10-12,20,29H,1-4,9H2,(H,25,27)(H,26,28)/t20-/m1/s1
Definition date:	2018-08-13
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	(2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide

J4S

J4S
Name:	(2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Formula:	C19 H17 F3 N2 O3
SMILES:	N(C(C(=O)NO)c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(CC3CC3)=O
InChi:	InChI=1S/C19H17F3N2O3/c20-14-8-13(9-15(21)17(14)22)11-3-5-12(6-4-11)18(19(26)24-27)23-16(25)7-10-1-2-10/h3-6,8-10,18,27H,1-2,7H2,(H,23,25)(H,24,26)/t18-/m1/s1
Definition date:	2018-08-13
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	(2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide

J4V

J4V
Name:	(1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide
Formula:	C25 H25 F3 N2 O3
SMILES:	C1C3CC2CC(CC1C2)C3C(NC(c4ccc(cc4)c5cc(F)c(F)c(F)c5)C(=O)NO)=O
InChi:	InChI=1S/C25H25F3N2O3/c26-19-10-16(11-20(27)22(19)28)14-1-3-15(4-2-14)23(25(32)30-33)29-24(31)21-17-6-12-5-13(8-17)9-18(21)7-12/h1-4,10-13,17-18,21,23,33H,5-9H2,(H,29,31)(H,30,32)/t12-,13+,17-,18+,21-,23-/m1/s1
Definition date:	2018-08-13
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	(1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide

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

J9E

J9E
Name:	4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide
Formula:	C20 H24 F2 N2 O
SMILES:	C(=O)(NC2CCC1(CCCCC1)CC2)c4cc3c(cc(cc3n4)F)F
InChi:	InChI=1S/C20H24F2N2O/c21-13-10-16(22)15-12-18(24-17(15)11-13)19(25)23-14-4-8-20(9-5-14)6-2-1-3-7-20/h10-12,14,24H,1-9H2,(H,23,25)
Definition date:	2018-12-05
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide

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

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

G9Z

G9Z
Name:	agropinic acid
Formula:	C11 H17 N O8
SMILES:	OC[CH](O)[CH](O)[CH](O)[CH](O)CN1[CH](C=CC1=O)C(O)=O
InChi:	InChI=1S/C11H17NO8/c13-4-7(15)10(18)9(17)6(14)3-12-5(11(19)20)1-2-8(12)16/h1-2,5-7,9-10,13-15,17-18H,3-4H2,(H,19,20)/t5-,6+,7+,9+,10+/m0/s1
Definition date:	2018-09-11
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	(2~{S})-5-oxidanylidene-1-[(2~{R},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]-2~{H}-pyrrole-2-carboxylic 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

GG8

GG8
Name:	~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
Formula:	C9 H10 F3 N O2 S
SMILES:	FC(F)(F)CCN[S](=O)(=O)c1ccccc1
InChi:	InChI=1S/C9H10F3NO2S/c10-9(11,12)6-7-13-16(14,15)8-4-2-1-3-5-8/h1-5,13H,6-7H2
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide

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

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

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