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F9E

F9E
Name:	[(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate
Formula:	C14 H22 N6 O5
SMILES:	CC(C)[CH](N)C(=O)OC[CH](CO)OCn1cnc2C(=O)N=C(N)Nc12
InChi:	InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8-,9-/m0/s1
Definition date:	2018-06-13
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	[(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate

JVP

JVP
Name:	5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide
Formula:	C22 H20 F2 N6 O2
SMILES:	c3cc(c1nn(c(c1C(=O)N)N)C2CCCN(C#N)C2)ccc3Oc4ccc(cc4F)F
InChi:	InChI=1S/C22H20F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)/t15-/m1/s1
Definition date:	2018-10-04
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide

KCA

KCA
Name:	methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate
Formula:	C22 H24 F N3 O3
SMILES:	N(C(C(OC)=O)C(C)(C)C)C(c2nn(Cc1ccc(cc1)F)c3c2cccc3)=O
InChi:	InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1
Definition date:	2018-11-19
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate

D0K

D0K
Name:	6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
Formula:	C21 H22 N6 O3
SMILES:	CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(cn1)C(=O)Nc3cccnc3
InChi:	InChI=1S/C21H22N6O3/c1-3-23-21(29)27-19-11-18(25-14-6-8-16(30-2)9-7-14)17(13-24-19)20(28)26-15-5-4-10-22-12-15/h4-13H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29)
Definition date:	2017-12-14
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide

D4W

D4W
Name:	4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol
Formula:	C15 H11 Cl N2 O2
SMILES:	Oc1ccc(c(O)c1)c2ccnn2c3ccccc3Cl
InChi:	InChI=1S/C15H11ClN2O2/c16-12-3-1-2-4-14(12)18-13(7-8-17-18)11-6-5-10(19)9-15(11)20/h1-9,19-20H
Definition date:	2017-12-21
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol

GT5

GT5
Name:	~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
Formula:	C27 H41 N5 O6 S2
SMILES:	COC[CH](NC(=O)[CH](CC(C)C)NC(=O)c1sc(C)nc1)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2
InChi:	InChI=1S/C27H41N5O6S2/c1-17(2)12-22(31-27(35)24-15-29-18(3)39-24)25(33)32-23(16-38-4)26(34)30-21(10-11-40(5,36)37)13-19-6-8-20(14-28)9-7-19/h6-9,15,17,21-23H,10-14,16,28H2,1-5H3,(H,30,34)(H,31,35)(H,32,33)/t21-,22+,23+/m1/s1
Definition date:	2018-10-09
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide

GT8

GT8
Name:	(2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
Formula:	C32 H52 N4 O7
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](CCC3CCCCC3)[CH](O)C(C)(C)O)cc1
InChi:	InChI=1S/C32H52N4O7/c1-22(33-28(37)21-36-16-18-43-19-17-36)30(39)35-27(20-24-10-13-25(42-4)14-11-24)31(40)34-26(29(38)32(2,3)41)15-12-23-8-6-5-7-9-23/h10-11,13-14,22-23,26-27,29,38,41H,5-9,12,15-21H2,1-4H3,(H,33,37)(H,34,40)(H,35,39)/t22-,26-,27-,29+/m0/s1
Definition date:	2018-10-09
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide

GTW

GTW
Name:	~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
Formula:	C32 H49 N5 O5 S2
SMILES:	CC(C)C[CH](NC(=O)c1sc(C)nc1)C(=O)N[CH](CC2CCCCC2)C(=O)N[CH](CC[S](C)(=O)=O)Cc3ccc(CN)cc3
InChi:	InChI=1S/C32H49N5O5S2/c1-21(2)16-27(37-32(40)29-20-34-22(3)43-29)31(39)36-28(18-23-8-6-5-7-9-23)30(38)35-26(14-15-44(4,41)42)17-24-10-12-25(19-33)13-11-24/h10-13,20-21,23,26-28H,5-9,14-19,33H2,1-4H3,(H,35,38)(H,36,39)(H,37,40)/t26-,27+,28+/m1/s1
Definition date:	2018-10-09
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide

GVW

GVW
Name:	(2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
Formula:	C35 H56 N4 O7
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[CH]4CCCC[CH]4C3)[CH](O)C(C)(C)O)cc1
InChi:	InChI=1S/C35H56N4O7/c1-23(36-31(40)22-39-15-17-46-18-16-39)33(42)38-30(20-24-10-13-28(45-4)14-11-24)34(43)37-29(32(41)35(2,3)44)21-25-9-12-26-7-5-6-8-27(26)19-25/h10-11,13-14,23,25-27,29-30,32,41,44H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25-,26-,27-,29-,30-,32+/m0/s1
Definition date:	2018-10-11
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide

GVZ

GVZ
Name:	(2~{S})-~{N}-[(2~{S},3~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
Formula:	C35 H56 N4 O7
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CCC[CH]4CCCC[CH]34)[CH](O)C(C)(C)O)cc1
InChi:	InChI=1S/C35H56N4O7/c1-23(36-31(40)22-39-16-18-46-19-17-39)33(42)38-30(20-24-12-14-27(45-4)15-13-24)34(43)37-29(32(41)35(2,3)44)21-26-10-7-9-25-8-5-6-11-28(25)26/h12-15,23,25-26,28-30,32,41,44H,5-11,16-22H2,1-4H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25-,26-,28+,29-,30-,32+/m0/s1
Definition date:	2018-10-11
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S})-~{N}-[(2~{S},3~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide

GW2

GW2
Name:	(2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
Formula:	C35 H56 N4 O7
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CCC[CH]4CCCC[CH]34)[CH](O)[CH](C)CO)cc1
InChi:	InChI=1S/C35H56N4O7/c1-23(22-40)33(42)30(20-27-9-6-8-26-7-4-5-10-29(26)27)37-35(44)31(19-25-11-13-28(45-3)14-12-25)38-34(43)24(2)36-32(41)21-39-15-17-46-18-16-39/h11-14,23-24,26-27,29-31,33,40,42H,4-10,15-22H2,1-3H3,(H,36,41)(H,37,44)(H,38,43)/t23-,24+,26+,27+,29-,30+,31+,33+/m1/s1
Definition date:	2018-10-11
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide

GWK

GWK
Name:	(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
Formula:	C32 H52 N4 O7
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[CH](C)CC3)[CH](O)C(C)(C)O)cc1
InChi:	InChI=1S/C32H52N4O7/c1-21-6-8-23(9-7-21)18-26(29(38)32(3,4)41)34-31(40)27(19-24-10-12-25(42-5)13-11-24)35-30(39)22(2)33-28(37)20-36-14-16-43-17-15-36/h10-13,21-23,26-27,29,38,41H,6-9,14-20H2,1-5H3,(H,33,37)(H,34,40)(H,35,39)/t21-,22-,23-,26-,27-,29+/m0/s1
Definition date:	2018-10-11
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide

GWT

GWT
Name:	(2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide
Formula:	C37 H61 N4 O7
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C[NH+]2CCOCC2)C(=O)N[CH](C[CH]3CC[CH](CC3)C4CCCCC4)[CH](O)C(C)(C)O)cc1
InChi:	InChI=1S/C37H60N4O7/c1-25(38-33(42)24-41-18-20-48-21-19-41)35(44)40-32(23-27-12-16-30(47-4)17-13-27)36(45)39-31(34(43)37(2,3)46)22-26-10-14-29(15-11-26)28-8-6-5-7-9-28/h12-13,16-17,25-26,28-29,31-32,34,43,46H,5-11,14-15,18-24H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/p+1/t25-,26-,29-,31-,32-,34+/m0/s1
Definition date:	2018-10-12
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide

GWZ

GWZ
Name:	(2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide
Formula:	C40 H61 N5 O7
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(=O)[CH](CCc2ccccc2)NC(=O)CN3CCOCC3)[CH](O)C(C)(C)O
InChi:	InChI=1S/C40H61N5O7/c1-27(2)23-32(36(47)40(5,6)51)42-39(50)34(25-30-15-11-8-12-16-30)44-38(49)33(24-28(3)4)43-37(48)31(18-17-29-13-9-7-10-14-29)41-35(46)26-45-19-21-52-22-20-45/h7-16,27-28,31-34,36,47,51H,17-26H2,1-6H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,36+/m0/s1
Definition date:	2018-10-12
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide

DS8

DS8
Name:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
Formula:	C13 H24 O7
SMILES:	C[CH]1O[CH](C[CH]2C[CH](O)O[CH](CO)C2)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C13H24O7/c1-6-11(16)13(18)12(17)9(19-6)3-7-2-8(5-14)20-10(15)4-7/h6-18H,2-5H2,1H3/t6-,7+,8-,9-,10+,11+,12+,13+/m0/s1
Definition date:	2018-01-29
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol

DSQ

DSQ
Name:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
Formula:	C13 H24 O8
SMILES:	C[CH]1O[CH](C[CH]2C[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C13H24O8/c1-5-10(16)13(19)12(18)7(20-5)2-6-3-9(15)21-8(4-14)11(6)17/h5-19H,2-4H2,1H3/t5-,6+,7-,8+,9+,10+,11-,12+,13+/m0/s1
Definition date:	2018-01-29
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol

F5S

F5S
Name:	(1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one
Formula:	C26 H27 N O7
SMILES:	C2/C(C=CC=CC1C(O1)CC(OC(c3c(O)cc(cc23)O)=O)C)=NOCc4ccc(OC)cc4
InChi:	InChI=1S/C26H27NO7/c1-16-11-24-23(34-24)6-4-3-5-19(27-32-15-17-7-9-21(31-2)10-8-17)12-18-13-20(28)14-22(29)25(18)26(30)33-16/h3-10,13-14,16,23-24,28-29H,11-12,15H2,1-2H3/b5-3+,6-4-,27-19-/t16-,23-,24-/m1/s1
Definition date:	2018-03-01
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one

HVS

HVS
Name:	(1Z,3E)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate
Formula:	C13 H11 O4
SMILES:	C(/c1ccccc1)(=CC(C)=[C@H]C(=O)C(O)=O)[O-]
InChi:	InChI=1S/C13H12O4/c1-9(8-12(15)13(16)17)7-11(14)10-5-3-2-4-6-10/h2-8,14H,1H3,(H,16,17)/p-1/b9-8+,11-7-
Definition date:	2018-07-26
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(1Z,3E)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate

HX7

HX7
Name:	N-{4-[(2S)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
Formula:	C22 H30 Cl2 N2 O4 S
SMILES:	CS(=O)(=O)Nc1ccc(cc1)OCC(O)CN(CCCC)CCc2cc(Cl)c(Cl)cc2
InChi:	InChI=1S/C22H30Cl2N2O4S/c1-3-4-12-26(13-11-17-5-10-21(23)22(24)14-17)15-19(27)16-30-20-8-6-18(7-9-20)25-31(2,28)29/h5-10,14,19,25,27H,3-4,11-13,15-16H2,1-2H3/t19-/m0/s1
Definition date:	2018-07-30
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	N-{4-[(2S)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide

HXM

HXM
Name:	N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
Formula:	C21 H28 Cl2 N2 O4 S
SMILES:	C(C)(N(CC(COc1ccc(cc1)NS(C)(=O)=O)O)CCc2cc(c(cc2)Cl)Cl)C
InChi:	InChI=1S/C21H28Cl2N2O4S/c1-15(2)25(11-10-16-4-9-20(22)21(23)12-16)13-18(26)14-29-19-7-5-17(6-8-19)24-30(3,27)28/h4-9,12,15,18,24,26H,10-11,13-14H2,1-3H3/t18-/m0/s1
Definition date:	2018-07-30
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide

HYS

HYS
Name:	N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
Formula:	C18 H22 Cl2 N2 O4 S
SMILES:	c1(Cl)c(Cl)ccc(c1)CCNCC(COc2ccc(cc2)NS(=O)(=O)C)O
InChi:	InChI=1S/C18H22Cl2N2O4S/c1-27(24,25)22-14-3-5-16(6-4-14)26-12-15(23)11-21-9-8-13-2-7-17(19)18(20)10-13/h2-7,10,15,21-23H,8-9,11-12H2,1H3/t15-/m0/s1
Definition date:	2018-07-30
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide

HYY

HYY
Name:	N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
Formula:	C21 H28 Cl2 N2 O4 S
SMILES:	c1cc(c(cc1CCN(CC(COc2ccc(cc2)NS(C)(=O)=O)O)CCC)Cl)Cl
InChi:	InChI=1S/C21H28Cl2N2O4S/c1-3-11-25(12-10-16-4-9-20(22)21(23)13-16)14-18(26)15-29-19-7-5-17(6-8-19)24-30(2,27)28/h4-9,13,18,24,26H,3,10-12,14-15H2,1-2H3/t18-/m0/s1
Definition date:	2018-07-30
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide

HZ4

HZ4
Name:	N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
Formula:	C20 H26 Cl2 N2 O4 S
SMILES:	c1c(cc(c(c1)Cl)Cl)CCN(CC)CC(O)COc2ccc(cc2)NS(=O)(=O)C
InChi:	InChI=1S/C20H26Cl2N2O4S/c1-3-24(11-10-15-4-9-19(21)20(22)12-15)13-17(25)14-28-18-7-5-16(6-8-18)23-29(2,26)27/h4-9,12,17,23,25H,3,10-11,13-14H2,1-2H3/t17-/m0/s1
Definition date:	2018-07-30
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide

96F

96F
Name:	1,8-dihydroxy-2-[(4R)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione
Formula:	C22 H20 O7
SMILES:	CCC(O)(C(CC(c3c(cc2C(=O)c1cccc(c1C(c2c3O)=O)O)C)=O)=O)C
InChi:	InChI=1S/C22H20O7/c1-4-22(3,29)15(25)9-14(24)16-10(2)8-12-18(20(16)27)21(28)17-11(19(12)26)6-5-7-13(17)23/h5-8,23,27,29H,4,9H2,1-3H3/t22-/m1/s1
Definition date:	2018-01-24
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	1,8-dihydroxy-2-[(4R)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione

9JR

9JR
Name:	4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
Formula:	C22 H30 N6 O2
SMILES:	CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1
InChi:	InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
Definition date:	2018-05-15
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one

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