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5AU

5AU
Name:	Di-glutathione-PhenylArsine
Formula:	C26 H37 As N6 O12 S2
SMILES:	NC(CCC(NC(CS[As](SCC(NC(=O)CCC(C(O)=O)N)C(=O)NCC(O)=O)c1ccccc1)C(NCC(O)=O)=O)=O)C(O)=O
InChi:	InChI=1S/C26H37AsN6O12S2/c28-15(25(42)43)6-8-19(34)32-17(23(40)30-10-21(36)37)12-46-27(14-4-2-1-3-5-14)47-13-18(24(41)31-11-22(38)39)33-20(35)9-7-16(29)26(44)45/h1-5,15-18H,6-13,28-29H2,(H,30,40)(H,31,41)(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,42,43)(H,44,45)/t15-,16-,17-,18-/m0/s1
Definition date:	2015-08-31
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	(2S,7R,13R,18S)-2,18-diamino-7,13-bis[(carboxymethyl)carbamoyl]-5,15-dioxo-10-phenyl-9,11-dithia-6,14-diaza-10-arsanonadecane-1,19-dioic acid (non-preferred name)

5X1

5X1
Name:	3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide
Formula:	C28 H31 F3 N6 O
SMILES:	C[CH]1CN(Cc2cc(NC(=O)c3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)ccc12)c5cncnc5
InChi:	InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-12-24(3-4-26(19)22)34-27(38)21-9-20(10-23(11-21)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m0/s1
Definition date:	2015-12-17
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide

5YA

5YA
Name:	4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
Formula:	C17 H13 N O2
SMILES:	ONC(=O)c1ccc(cc1)c2cccc3ccccc23
InChi:	InChI=1S/C17H13NO2/c19-17(18-20)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19)
Definition date:	2016-01-05
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	4-naphthalen-1-yl-~{N}-oxidanyl-benzamide

6FZ

6FZ
Name:	2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C10 H10 O2
SMILES:	c2cc1CC(Cc1cc2)C(=O)O
InChi:	InChI=1S/C10H10O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H,11,12)
Definition date:	2016-04-01
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	2,3-dihydro-1H-indene-2-carboxylic acid

6G2

6G2
Name:	5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine
Formula:	C19 H21 N5 O S
SMILES:	c1(ncc(cc1OCc2ccncc2)c3sc(nc3)C4CCNCC4)N
InChi:	InChI=1S/C19H21N5OS/c20-18-16(25-12-13-1-5-21-6-2-13)9-15(10-23-18)17-11-24-19(26-17)14-3-7-22-8-4-14/h1-2,5-6,9-11,14,22H,3-4,7-8,12H2,(H2,20,23)
Definition date:	2016-04-04
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine

RDS

RDS
Name:	6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine
Formula:	C14 H16 Cl N3 O S
SMILES:	CC[CH](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1
InChi:	InChI=1S/C14H16ClN3OS/c1-3-9(2)19-13-8-12(16)17-14(18-13)20-11-6-4-5-10(15)7-11/h4-9H,3H2,1-2H3,(H2,16,17,18)/t9-/m1/s1
Definition date:	2015-10-20
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	6-[(2~{R})-butan-2-yl]oxy-2-(3-chlorophenyl)sulfanyl-pyrimidin-4-amine

6RR

6RR
Name:	~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
Formula:	C11 H16 N2 O2 S
SMILES:	Cc1ncccc1N[CH]2CCC[S](=O)(=O)C2
InChi:	InChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m1/s1
Definition date:	2016-06-08
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine

6RS

6RS
Name:	~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine
Formula:	C17 H20 N2 O2
SMILES:	C[CH](Nc1cccnc1C)c2ccc3OCCCOc3c2
InChi:	InChI=1S/C17H20N2O2/c1-12(19-15-5-3-8-18-13(15)2)14-6-7-16-17(11-14)21-10-4-9-20-16/h3,5-8,11-12,19H,4,9-10H2,1-2H3/t12-/m0/s1
Definition date:	2016-06-08
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine

6RW

6RW
Name:	2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine
Formula:	C12 H18 N2 O2 S
SMILES:	Cc1ncccc1N[CH]2CCC[CH]2[S](C)(=O)=O
InChi:	InChI=1S/C12H18N2O2S/c1-9-10(6-4-8-13-9)14-11-5-3-7-12(11)17(2,15)16/h4,6,8,11-12,14H,3,5,7H2,1-2H3/t11-,12+/m1/s1
Definition date:	2016-06-09
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine

6RY

6RY
Name:	~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine
Formula:	C16 H18 N2 O2
SMILES:	C[CH](Nc1cccnc1C)c2ccc3OCCOc3c2
InChi:	InChI=1S/C16H18N2O2/c1-11(18-14-4-3-7-17-12(14)2)13-5-6-15-16(10-13)20-9-8-19-15/h3-7,10-11,18H,8-9H2,1-2H3/t11-/m0/s1
Definition date:	2016-06-09
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine

6RZ

6RZ
Name:	2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine
Formula:	C10 H16 N2 O2 S
SMILES:	C[CH](C[S](C)(=O)=O)Nc1cccnc1C
InChi:	InChI=1S/C10H16N2O2S/c1-8(7-15(3,13)14)12-10-5-4-6-11-9(10)2/h4-6,8,12H,7H2,1-3H3/t8-/m1/s1
Definition date:	2016-06-09
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine

6S0

6S0
Name:	2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine
Formula:	C15 H15 N3 S
SMILES:	C[CH](Nc1cccnc1C)c2cnc3ccsc3c2
InChi:	InChI=1S/C15H15N3S/c1-10(18-13-4-3-6-16-11(13)2)12-8-15-14(17-9-12)5-7-19-15/h3-10,18H,1-2H3/t10-/m0/s1
Definition date:	2016-06-09
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine

70R

70R
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid
Formula:	C39 H37 Cl F4 N6 O6 S
SMILES:	CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc6ccnn6CC(F)(F)F)C(O)=O)c34)c7oc(F)cc7)CC1
InChi:	InChI=1S/C39H37ClF4N6O6S/c1-23-26(7-8-28(34(23)40)53-18-17-49-15-13-48(2)14-16-49)32-33-36(45-22-46-37(33)57-35(32)29-9-10-31(41)55-29)56-30(38(51)52)19-24-5-3-4-6-27(24)54-20-25-11-12-47-50(25)21-39(42,43)44/h3-12,22,30H,13-21H2,1-2H3,(H,51,52)/t30-/m1/s1
Definition date:	2016-08-09
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid

71Q

71Q
Name:	N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Formula:	C18 H17 Cl F3 N3 O3
SMILES:	N1(CCN(CC1)C(c2ccco2)=O)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl
InChi:	InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
Definition date:	2016-08-12
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

71T

71T
Name:	2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
Formula:	C23 H22 N2 O4 S2
SMILES:	c5c(N1CCN(CC1)C(c4sc2c(CS(c3c2cccc3)(=O)=O)c4)=O)ccc(OC)c5
InChi:	InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
Definition date:	2016-08-12
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione

5LA

5LA
Name:	2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid
Formula:	C7 H4 Cl N O2 S
SMILES:	OC(=O)c1[nH]c2sc(Cl)cc2c1
InChi:	InChI=1S/C7H4ClNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11)
Definition date:	2015-10-19
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid

5LP

5LP
Name:	2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid
Formula:	C15 H14 Cl N3 O3
SMILES:	Cc1ccc(C(O)=O)c(NC(=O)Nc2ccc(Cl)cc2N)c1
InChi:	InChI=1S/C15H14ClN3O3/c1-8-2-4-10(14(20)21)13(6-8)19-15(22)18-12-5-3-9(16)7-11(12)17/h2-7H,17H2,1H3,(H,20,21)(H2,18,19,22)
Definition date:	2015-10-20
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid

5M2

5M2
Name:	(~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
Formula:	C13 H11 N O4
SMILES:	Cc1c(ccc2[nH]ccc12)C(=O)C=C(O)C(O)=O
InChi:	InChI=1S/C13H11NO4/c1-7-8-4-5-14-10(8)3-2-9(7)11(15)6-12(16)13(17)18/h2-6,14,16H,1H3,(H,17,18)/b12-6-
Definition date:	2015-10-21
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	(~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid

5O0

5O0
Name:	4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid
Formula:	C20 H16 Cl N3 O6 S
SMILES:	Nc1cc(Cl)ccc1NC(=O)Nc2cccc(c2)[S](=O)(=O)Oc3ccc(cc3)C(O)=O
InChi:	InChI=1S/C20H16ClN3O6S/c21-13-6-9-18(17(22)10-13)24-20(27)23-14-2-1-3-16(11-14)31(28,29)30-15-7-4-12(5-8-15)19(25)26/h1-11H,22H2,(H,25,26)(H2,23,24,27)
Definition date:	2015-10-29
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid

5O3

5O3
Name:	4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid
Formula:	C20 H17 Cl N4 O5 S
SMILES:	Nc1cc(Cl)ccc1NC(=O)Nc2cccc(c2)[S](=O)(=O)Nc3ccc(cc3)C(O)=O
InChi:	InChI=1S/C20H17ClN4O5S/c21-13-6-9-18(17(22)10-13)24-20(28)23-15-2-1-3-16(11-15)31(29,30)25-14-7-4-12(5-8-14)19(26)27/h1-11,25H,22H2,(H,26,27)(H2,23,24,28)
Definition date:	2015-10-29
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid

5VT

5VT
Name:	(2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide
Formula:	C26 H29 N3 O3
SMILES:	COc1ccc(CCNC(=O)[CH]2CCCN2C(=O)NCc3cccc4ccccc34)cc1
InChi:	InChI=1S/C26H29N3O3/c1-32-22-13-11-19(12-14-22)15-16-27-25(30)24-10-5-17-29(24)26(31)28-18-21-8-4-7-20-6-2-3-9-23(20)21/h2-4,6-9,11-14,24H,5,10,15-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1
Definition date:	2015-12-12
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	(2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide

5W5

5W5
Name:	methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate
Formula:	C22 H22 F3 N3 O5
SMILES:	COC(=O)c1ccccc1CNC(=O)N2CCC[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3
InChi:	InChI=1S/C22H22F3N3O5/c1-32-20(30)17-9-3-2-6-14(17)13-26-21(31)28-11-5-10-18(28)19(29)27-15-7-4-8-16(12-15)33-22(23,24)25/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,26,31)(H,27,29)/t18-/m0/s1
Definition date:	2015-12-15
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate

5WC

5WC
Name:	1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide
Formula:	C23 H22 Cl F N6 O3
SMILES:	C[CH](NC(=O)[CH]1C[CH]2C[CH]2N1C(=O)Cn3nc(C(N)=O)c4ccncc34)c5cccc(Cl)c5F
InChi:	InChI=1S/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/m1/s1
Definition date:	2015-12-15
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide

5WD

5WD
Name:	3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid
Formula:	C17 H14 N2 O4
SMILES:	NC(=O)c1[nH]c2ccc(OCc3cccc(c3)C(O)=O)cc2c1
InChi:	InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)
Definition date:	2015-12-15
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid

E6D

E6D
Name:	ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Formula:	C17 H32 N2 O5
SMILES:	CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(O)CC(=O)OCC
InChi:	InChI=1S/C17H32N2O5/c1-6-24-15(21)10-14(20)17(23)19-13(9-12(4)5)16(22)18-8-7-11(2)3/h11-14,20H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1
Definition date:	2015-12-01
Last modified:	2016-10-20
Release date:	2016-04-13
Identifier:	ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate

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