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7TV

7TV
Name:	6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C29 H33 N O5
SMILES:	c4c(CN(C1CCCC1)C(c2ccc(cc2)c3occc3)=O)c(OCCCCCC(=O)O)ccc4
InChi:	InChI=1S/C29H33NO5/c31-28(32)14-2-1-7-19-34-27-12-6-3-9-24(27)21-30(25-10-4-5-11-25)29(33)23-17-15-22(16-18-23)26-13-8-20-35-26/h3,6,8-9,12-13,15-18,20,25H,1-2,4-5,7,10-11,14,19,21H2,(H,31,32)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7TY

7TY
Name:	6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C29 H33 N O5
SMILES:	c1c(c(ccc1)OCCCCCC(O)=O)CN(C2CCCC2)C(c4ccc(c3cocc3)cc4)=O
InChi:	InChI=1S/C29H33NO5/c31-28(32)12-2-1-7-18-35-27-11-6-3-8-24(27)20-30(26-9-4-5-10-26)29(33)23-15-13-22(14-16-23)25-17-19-34-21-25/h3,6,8,11,13-17,19,21,26H,1-2,4-5,7,9-10,12,18,20H2,(H,31,32)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7U4

7U4
Name:	6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C28 H30 N2 O4
SMILES:	n4cccc(c1ccc(cc1)C(N(Cc2ccccc2OCCCCCC(O)=O)C3CC3)=O)c4
InChi:	InChI=1S/C28H30N2O4/c31-27(32)10-2-1-5-18-34-26-9-4-3-7-24(26)20-30(25-15-16-25)28(33)22-13-11-21(12-14-22)23-8-6-17-29-19-23/h3-4,6-9,11-14,17,19,25H,1-2,5,10,15-16,18,20H2,(H,31,32)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7U7

7U7
Name:	6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H29 N O5
SMILES:	c4c(CN(C1CC1)C(c3ccc(c2occc2)cc3)=O)c(OCCCCCC(O)=O)ccc4
InChi:	InChI=1S/C27H29NO5/c29-26(30)10-2-1-5-17-32-25-8-4-3-7-22(25)19-28(23-15-16-23)27(31)21-13-11-20(12-14-21)24-9-6-18-33-24/h3-4,6-9,11-14,18,23H,1-2,5,10,15-17,19H2,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7UA

7UA
Name:	6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H29 N O5
SMILES:	c4c(CN(C1CC1)C(c3ccc(c2cocc2)cc3)=O)c(ccc4)OCCCCCC(O)=O
InChi:	InChI=1S/C27H29NO5/c29-26(30)8-2-1-5-16-33-25-7-4-3-6-22(25)18-28(24-13-14-24)27(31)21-11-9-20(10-12-21)23-15-17-32-19-23/h3-4,6-7,9-12,15,17,19,24H,1-2,5,8,13-14,16,18H2,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7UD

7UD
Name:	6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C31 H31 N O5
SMILES:	c4c(CN(Cc1ccccc1)C(c3ccc(c2cocc2)cc3)=O)c(ccc4)OCCCCCC(=O)O
InChi:	InChI=1S/C31H31NO5/c33-30(34)13-5-2-8-19-37-29-12-7-6-11-27(29)22-32(21-24-9-3-1-4-10-24)31(35)26-16-14-25(15-17-26)28-18-20-36-23-28/h1,3-4,6-7,9-12,14-18,20,23H,2,5,8,13,19,21-22H2,(H,33,34)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7UG

7UG
Name:	6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C31 H31 N O4 S
SMILES:	c4c(CN(Cc1ccccc1)C(c3ccc(c2cscc2)cc3)=O)c(ccc4)OCCCCCC(=O)O
InChi:	InChI=1S/C31H31NO4S/c33-30(34)13-5-2-8-19-36-29-12-7-6-11-27(29)22-32(21-24-9-3-1-4-10-24)31(35)26-16-14-25(15-17-26)28-18-20-37-23-28/h1,3-4,6-7,9-12,14-18,20,23H,2,5,8,13,19,21-22H2,(H,33,34)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7UY

7UY
Name:	6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H31 N O4 S
SMILES:	c1cccc(c1CN(C(C)C)C(c2ccc(cc2)c3ccsc3)=O)OCCCCCC(O)=O
InChi:	InChI=1S/C27H31NO4S/c1-20(2)28(27(31)22-13-11-21(12-14-22)24-15-17-33-19-24)18-23-8-5-6-9-25(23)32-16-7-3-4-10-26(29)30/h5-6,8-9,11-15,17,19-20H,3-4,7,10,16,18H2,1-2H3,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7V1

7V1
Name:	6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H31 N O5
SMILES:	c3c(CN(C(C)C)C(c1ccc(cc1)c2ccco2)=O)c(OCCCCCC(=O)O)ccc3
InChi:	InChI=1S/C27H31NO5/c1-20(2)28(27(31)22-15-13-21(14-16-22)24-11-8-18-33-24)19-23-9-5-6-10-25(23)32-17-7-3-4-12-26(29)30/h5-6,8-11,13-16,18,20H,3-4,7,12,17,19H2,1-2H3,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid

7V4

7V4
Name:	6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H31 N O5
SMILES:	c3c(CN(C(C)C)C(c1ccc(cc1)c2ccoc2)=O)c(ccc3)OCCCCCC(O)=O
InChi:	InChI=1S/C27H31NO5/c1-20(2)28(27(31)22-13-11-21(12-14-22)24-15-17-32-19-24)18-23-8-5-6-9-25(23)33-16-7-3-4-10-26(29)30/h5-6,8-9,11-15,17,19-20H,3-4,7,10,16,18H2,1-2H3,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid

6F3

6F3
Name:	N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide
Formula:	C14 H12 N2 O4 S
SMILES:	CN[S](=O)(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2
InChi:	InChI=1S/C14H12N2O4S/c1-15-21(18,19)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8,15H,1H3,(H,16,17)
Definition date:	2016-05-11
Last modified:	2017-02-24
Release date:	2017-03-01
Identifier:	~{N}-methyl-3-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzenesulfonamide

DU1

DU1
Name:	4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride
Formula:	C24 H30 F N5 O5 S
SMILES:	O=C3N(CCCNC(=O)c1ccc(cc1)S(=O)(F)=O)c2nc(nc2C(N3CCC)=O)C4CCCCC4
InChi:	InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
Definition date:	2017-01-12
Last modified:	2017-02-24
Release date:	2017-03-01
Identifier:	4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride

8L4

8L4
Name:	3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide
Formula:	C17 H19 Cl N4 O2
SMILES:	C(=N)(c1cccc(c1)C(C)(C)NC(Nc2ccc(Cl)cc2)=O)NO
InChi:	InChI=1S/C17H19ClN4O2/c1-17(2,12-5-3-4-11(10-12)15(19)22-24)21-16(23)20-14-8-6-13(18)7-9-14/h3-10,24H,1-2H3,(H2,19,22)(H2,20,21,23)
Definition date:	2017-02-13
Last modified:	2017-02-24
Release date:	2017-03-01
Identifier:	3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide

HKX

HKX
Name:	N-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-N-methylbenzenesulfonamide
Formula:	C18 H17 Br N4 O4 S
SMILES:	O=C1NC(=O)N(C(=C1N(C)S(=O)(c2ccccc2)=O)N)Cc3cc(ccc3)Br
InChi:	InChI=1S/C18H17BrN4O4S/c1-22(28(26,27)14-8-3-2-4-9-14)15-16(20)23(18(25)21-17(15)24)11-12-6-5-7-13(19)10-12/h2-10H,11,20H2,1H3,(H,21,24,25)
Definition date:	2016-01-28
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-N-methylbenzenesulfonamide

FKH

FKH
Name:	N-(6-AMINO-1-(3-METHYLBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE
Formula:	C19 H20 N4 O4 S
SMILES:	CN(C1=C(N)N(Cc2cccc(C)c2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C19H20N4O4S/c1-13-7-6-8-14(11-13)12-23-17(20)16(18(24)21-19(23)25)22(2)28(26,27)15-9-4-3-5-10-15/h3-11H,12,20H2,1-2H3,(H,21,24,25)
Definition date:	2016-01-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[6-azanyl-1-[(3-methylphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide

KDT

KDT
Name:	N-(6-AMINO-1-(4-BROMOBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE
Formula:	C18 H17 Br N4 O4 S
SMILES:	CN(C1=C(N)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C18H17BrN4O4S/c1-22(28(26,27)14-5-3-2-4-6-14)15-16(20)23(18(25)21-17(15)24)11-12-7-9-13(19)10-8-12/h2-10H,11,20H2,1H3,(H,21,24,25)
Definition date:	2016-01-18
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[6-azanyl-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide

P3I

P3I
Name:	N-(6-Amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide
Formula:	C18 H17 Br N4 O4 S
SMILES:	CN(C1=C(N)N(Cc2ccccc2Br)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C18H17BrN4O4S/c1-22(28(26,27)13-8-3-2-4-9-13)15-16(20)23(18(25)21-17(15)24)11-12-7-5-6-10-14(12)19/h2-10H,11,20H2,1H3,(H,21,24,25)
Definition date:	2016-01-14
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[6-azanyl-1-[(2-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide

DH5

DH5
Name:	N-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide
Formula:	C19 H19 Br N4 O4 S
SMILES:	CN(C1=C(N)N(Cc2ccc(Br)c(C)c2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C19H19BrN4O4S/c1-12-10-13(8-9-15(12)20)11-24-17(21)16(18(25)22-19(24)26)23(2)29(27,28)14-6-4-3-5-7-14/h3-10H,11,21H2,1-2H3,(H,22,25,26)
Definition date:	2016-01-21
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[6-azanyl-1-[(4-bromanyl-3-methyl-phenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide

XT3

XT3
Name:	2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
Formula:	C22 H22 N4 O2
SMILES:	Oc1cc(Cn2cc(nn2)C3CCCCC3)ccc1Oc4ccccc4C#N
InChi:	InChI=1S/C22H22N4O2/c23-13-18-8-4-5-9-21(18)28-22-11-10-16(12-20(22)27)14-26-15-19(24-25-26)17-6-2-1-3-7-17/h4-5,8-12,15,17,27H,1-3,6-7,14H2
Definition date:	2017-01-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile

XTV

XTV
Name:	2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
Formula:	C19 H16 N4 O2
SMILES:	Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4C#N
InChi:	InChI=1S/C19H16N4O2/c20-10-15-3-1-2-4-18(15)25-19-8-5-13(9-17(19)24)11-23-12-16(21-22-23)14-6-7-14/h1-5,8-9,12,14,24H,6-7,11H2
Definition date:	2017-01-12
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile

6WL

6WL
Name:	4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
Formula:	C15 H11 F3 N2 O2
SMILES:	Cn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F
InChi:	InChI=1S/C15H11F3N2O2/c1-20-14-10(3-2-4-11(14)15(16,17)18)13(19-20)9-6-5-8(21)7-12(9)22/h2-7,21-22H,1H3
Definition date:	2016-07-11
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol

6WS

6WS
Name:	1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene
Formula:	C14 H8 Cl4
SMILES:	Clc1ccc(cc1)C(=C(Cl)Cl)c2ccc(Cl)cc2
InChi:	InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
Definition date:	2016-07-11
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene

6WT

6WT
Name:	1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene
Formula:	C14 H9 Cl5
SMILES:	Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
InChi:	InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
Definition date:	2016-07-11
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene

71G

71G
Name:	3-aminobenzonitrile
Formula:	C7 H6 N2
SMILES:	c1(cc(N)ccc1)C#N
InChi:	InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2
Definition date:	2016-08-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	3-aminobenzonitrile

71K

71K
Name:	2-methylbenzene-1,3-diamine
Formula:	C7 H10 N2
SMILES:	c1ccc(c(c1N)C)N
InChi:	InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
Definition date:	2016-08-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-methylbenzene-1,3-diamine

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