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7BQ

7BQ
Name:	(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Formula:	C32 H46 N6 O15
SMILES:	CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH](O)CO)(n2cc(C[CH](NC(=O)Cc3ccccc3)C(=O)NCC[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)nn2)C(O)=O
InChi:	InChI=1S/C32H46N6O15/c1-15(41)34-24-19(42)11-32(31(50)51,53-29(24)25(45)20(43)13-39)38-12-17(36-37-38)10-18(35-23(44)9-16-5-3-2-4-6-16)30(49)33-8-7-21-26(46)28(48)27(47)22(14-40)52-21/h2-6,12,18-22,24-29,39-40,42-43,45-48H,7-11,13-14H2,1H3,(H,33,49)(H,34,41)(H,35,44)(H,50,51)/t18-,19+,20-,21+,22-,24-,25-,26+,27+,28-,29-,32-/m1/s1
Definition date:	2016-09-29
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

7DB

7DB
Name:	(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Formula:	C32 H46 N6 O15
SMILES:	CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH](O)CO)(n2cc(C[CH](NC(=O)Cc3ccccc3)C(=O)NCC[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)nn2)C(O)=O
InChi:	InChI=1S/C32H46N6O15/c1-15(41)34-24-19(42)11-32(31(50)51,53-29(24)25(45)20(43)13-39)38-12-17(36-37-38)10-18(35-23(44)9-16-5-3-2-4-6-16)30(49)33-8-7-21-26(46)28(48)27(47)22(14-40)52-21/h2-6,12,18-22,24-29,39-40,42-43,45-48H,7-11,13-14H2,1H3,(H,33,49)(H,34,41)(H,35,44)(H,50,51)/t18-,19-,20+,21-,22+,24+,25+,26-,27-,28+,29+,32+/m0/s1
Definition date:	2016-10-10
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

7XX

7XX
Name:	4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide
Formula:	C13 H10 Cl2 N2 O2
SMILES:	Cn1cc(cc1C(N)=O)C(=O)c2cccc(Cl)c2Cl
InChi:	InChI=1S/C13H10Cl2N2O2/c1-17-6-7(5-10(17)13(16)19)12(18)8-3-2-4-9(14)11(8)15/h2-6H,1H3,(H2,16,19)
Definition date:	2017-02-07
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide

7Y0

7Y0
Name:	4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide
Formula:	C28 H22 Cl4 N4 O4
SMILES:	Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(Cl)c3Cl)C(=O)c4cccc(Cl)c4Cl
InChi:	InChI=1S/C28H22Cl4N4O4/c1-35-13-15(25(37)17-5-3-7-19(29)23(17)31)11-21(35)27(39)33-9-10-34-28(40)22-12-16(14-36(22)2)26(38)18-6-4-8-20(30)24(18)32/h3-8,11-14H,9-10H2,1-2H3,(H,33,39)(H,34,40)
Definition date:	2017-02-07
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	4-[2,3-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide

83D

83D
Name:	5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Formula:	C14 H11 F O3
SMILES:	c1c(cc(cc1O)/C=C(/c2ccc(cc2)O)F)O
InChi:	InChI=1S/C14H11FO3/c15-14(10-1-3-11(16)4-2-10)7-9-5-12(17)8-13(18)6-9/h1-8,16-18H/b14-7-
Definition date:	2016-12-20
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

84M

84M
Name:	N-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide
Formula:	C16 H13 N7 O S
SMILES:	c15n(c(nn1)Sc4ccc2n(cc(n2)NC(=O)C3CC3)n4)cccc5
InChi:	InChI=1S/C16H13N7OS/c24-15(10-4-5-10)18-11-9-23-12(17-11)6-7-14(21-23)25-16-20-19-13-3-1-2-8-22(13)16/h1-3,6-10H,4-5H2,(H,18,24)
Definition date:	2016-12-24
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	N-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide

84P

84P
Name:	N-(6-{[6-(1-methyl-1H-pyrazol-4-yl)-1H-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
Formula:	C21 H19 N9 O
SMILES:	c1c(cn(C)n1)c6cc5n(Cc4ccc2n(cc(n2)NC(=O)C3CC3)n4)nnc5cc6
InChi:	InChI=1S/C21H19N9O/c1-28-10-15(9-22-28)14-4-6-17-18(8-14)29(27-25-17)11-16-5-7-20-23-19(12-30(20)26-16)24-21(31)13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,31)
Definition date:	2016-12-24
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	N-(6-{[6-(1-methyl-1H-pyrazol-4-yl)-1H-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide

9HV

9HV
Name:	{2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid
Formula:	C14 H28 N O12 P
SMILES:	C1(N(CCP(O)(O)=O)C(CO)C(C1O)OC2C(O)C(C(C(CO)O2)O)O)CO
InChi:	InChI=1S/C14H28NO12P/c16-3-6-9(19)13(7(4-17)15(6)1-2-28(23,24)25)27-14-12(22)11(21)10(20)8(5-18)26-14/h6-14,16-22H,1-5H2,(H2,23,24,25)/t6-,7-,8-,9-,10-,11+,12-,13-,14-/m1/s1
Definition date:	2017-05-12
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	{2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid

9J4

9J4
Name:	4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
Formula:	C22 H27 N5 O
SMILES:	C1CC(C(C1(N)C)(C)C)Nc2c3n(ncc2C(N)=O)cc(c3)c4ccccc4
InChi:	InChI=1S/C22H27N5O/c1-21(2)18(9-10-22(21,3)24)26-19-16(20(23)28)12-25-27-13-15(11-17(19)27)14-7-5-4-6-8-14/h4-8,11-13,18,26H,9-10,24H2,1-3H3,(H2,23,28)/t18-,22+/m1/s1
Definition date:	2017-05-12
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

7UC

7UC
Name:	(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid
Formula:	C6 H11 N O4
SMILES:	C[CH](CC(O)=O)NCC(O)=O
InChi:	InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
Definition date:	2016-12-14
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid

N66

N66
Name:	~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Formula:	C33 H39 N7 O2
SMILES:	CCc1cccc(CC)c1NC(=O)c2ccn3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(C)CC6)nc34
InChi:	InChI=1S/C33H39N7O2/c1-5-22-8-7-9-23(6-2)30(22)36-32(41)26-14-15-40-28(26)13-10-24-21-34-33(37-31(24)40)35-27-12-11-25(20-29(27)42-4)39-18-16-38(3)17-19-39/h7-9,11-12,14-15,20-21H,5-6,10,13,16-19H2,1-4H3,(H,36,41)(H,34,35,37)
Definition date:	2017-02-23
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide

5GI

5GI
Name:	~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C22 H25 F N4 O5
SMILES:	Cc1onc(c1)C(=O)N[CH](Cc2ccc(F)cc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O
InChi:	InChI=1S/C22H25FN4O5/c1-13-9-19(27-32-13)22(31)26-18(10-14-4-6-16(23)7-5-14)21(30)25-17(12-28)11-15-3-2-8-24-20(15)29/h4-7,9,12,15,17-18H,2-3,8,10-11H2,1H3,(H,24,29)(H,25,30)(H,26,31)/t15-,17-,18-/m0/s1
Definition date:	2016-08-25
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

RAU

RAU
Name:	RASAGILINE
Formula:	C12 H13 N
SMILES:	C#CCN[CH]1CCc2ccccc12
InChi:	InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
Definition date:	2016-06-23
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

8PT

8PT
Name:	~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine
Formula:	C22 H29 N7 O
SMILES:	Cc1cc(ccc1Nc2nc(NC3CCCCC3)c4[nH]cnc4n2)N5CCOCC5
InChi:	InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
Definition date:	2017-02-21
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine

8Q5

8Q5
Name:	~{N}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
Formula:	C20 H23 N5 O
SMILES:	CC(C)CNc1nccn2c(cnc12)c3ccc(cc3)C(=O)NC4CC4
InChi:	InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)
Definition date:	2017-02-23
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{N}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

8QE

8QE
Name:	4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide
Formula:	C17 H20 N6 O
SMILES:	CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
InChi:	InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
Definition date:	2017-02-24
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide

8QW

8QW
Name:	(2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
Formula:	C29 H26 F N5 O4 S
SMILES:	COc1cc(ccc1Nc2nn3cc(ccc3n2)c4ccc(NC(=O)[CH](C)c5ccc(F)cc5)cc4)[S](C)(=O)=O
InChi:	InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1
Definition date:	2017-02-27
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide

8QZ

8QZ
Name:	~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Formula:	C39 H53 N9 O7
SMILES:	CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c2ccn3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC)nc34
InChi:	InChI=1S/C39H53N9O7/c1-6-30-36(32(7-2)48(44-30)18-19-54-22-23-55-21-20-51-3)42-38(50)29-12-13-47-33(29)11-8-27-25-40-39(43-37(27)47)41-31-10-9-28(24-34(31)53-5)45-14-16-46(17-15-45)35(49)26-52-4/h9-10,12-13,24-25H,6-8,11,14-23,26H2,1-5H3,(H,42,50)(H,40,41,43)
Definition date:	2017-02-27
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide

8RH

8RH
Name:	BAY 1217389
Formula:	C27 H24 F5 N5 O3
SMILES:	COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(n3n2)c4ccc(c(C)c4)C(=O)NC5CC5)c(F)c1F
InChi:	InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)
Definition date:	2017-02-28
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	4-[6-[2,3-bis(fluoranyl)-4-methoxy-phenoxy]-8-[3,3,3-tris(fluoranyl)propylamino]imidazo[1,2-b]pyridazin-3-yl]-~{N}-cyclopropyl-2-methyl-benzamide

8WJ

8WJ
Name:	(2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide
Formula:	C22 H29 N3 O4 S2
SMILES:	N(c1sccn1)C(=O)C(CC2CCCCC2)N3C(C=C(C=C3)S(C4CCCC4)(=O)=O)=O
InChi:	InChI=1S/C22H29N3O4S2/c26-20-15-18(31(28,29)17-8-4-5-9-17)10-12-25(20)19(14-16-6-2-1-3-7-16)21(27)24-22-23-11-13-30-22/h10-13,15-17,19H,1-9,14H2,(H,23,24,27)/t19-/m0/s1
Definition date:	2017-03-13
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide

8WM

8WM
Name:	(2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
Formula:	C21 H23 F N4 O4 S2
SMILES:	c1(sc(F)cn1)NC(=O)C(CC2CCOCC2)n3c4c(cn3)c(ccc4)S(=O)(=O)C5CC5
InChi:	InChI=1S/C21H23FN4O4S2/c22-19-12-23-21(31-19)25-20(27)17(10-13-6-8-30-9-7-13)26-16-2-1-3-18(15(16)11-24-26)32(28,29)14-4-5-14/h1-3,11-14,17H,4-10H2,(H,23,25,27)/t17-/m0/s1
Definition date:	2017-03-13
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide

8Z2

8Z2
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-dodec-2-enethioate
Formula:	C33 H56 N7 O17 P3 S
SMILES:	CCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28+,32-/m1/s1
Definition date:	2017-03-28
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-dodec-2-enethioate

91Y

91Y
Name:	3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide
Formula:	C21 H24 N4 O2
SMILES:	N(c3c(C(=O)NC2Cc1c(cccc1)C2)nccn3)C(C4CCCCC4)=O
InChi:	InChI=1S/C21H24N4O2/c26-20(14-6-2-1-3-7-14)25-19-18(22-10-11-23-19)21(27)24-17-12-15-8-4-5-9-16(15)13-17/h4-5,8-11,14,17H,1-3,6-7,12-13H2,(H,24,27)(H,23,25,26)
Definition date:	2017-03-28
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide

89M

89M
Name:	Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide
Formula:	C35 H48 N4 O3
SMILES:	CCCCCCCCNC(=O)C(NC(=O)C1CCC(CC1)CN)Cc2ccc(cc2)OCc4nc3ccccc3cc4
InChi:	InChI=1S/C35H48N4O3/c1-2-3-4-5-6-9-22-37-35(41)33(39-34(40)29-16-12-27(24-36)13-17-29)23-26-14-20-31(21-15-26)42-25-30-19-18-28-10-7-8-11-32(28)38-30/h7-8,10-11,14-15,18-21,27,29,33H,2-6,9,12-13,16-17,22-25,36H2,1H3,(H,37,41)(H,39,40)/t27-,29-,33-/m0/s1
Definition date:	2017-01-12
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide

89S

89S
Name:	Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide
Formula:	C31 H46 N4 O3
SMILES:	CCCCCCCCNC(=O)C(NC(=O)C1CCC(CN)CC1)Cc2ccc(cc2)OCc3ccncc3
InChi:	InChI=1S/C31H46N4O3/c1-2-3-4-5-6-7-18-34-31(37)29(35-30(36)27-12-8-25(22-32)9-13-27)21-24-10-14-28(15-11-24)38-23-26-16-19-33-20-17-26/h10-11,14-17,19-20,25,27,29H,2-9,12-13,18,21-23,32H2,1H3,(H,34,37)(H,35,36)/t25-,27-,29-/m0/s1
Definition date:	2017-01-12
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide

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