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9V1

9V1
Name:	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl] methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]pro panoic acid
Formula:	C33 H40 N4 O6
SMILES:	CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,19-20,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41)/t19-,20-/m1/s1
Synonyms:	Billeverdin IXa, bound form
Definition date:	2017-06-13
Last modified:	2020-06-17
Release date:	2017-06-21
Identifier:	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

9V5

9V5
Name:	4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene
Formula:	C12 H8 Cl N O4 S
SMILES:	[O-][N+](=O)c1cc(Cl)ccc1[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H
Synonyms:	BIS-TRIS BUFFER
Definition date:	2017-07-15
Last modified:	2020-06-17
Release date:	2017-10-25
Identifier:	4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene

S1P

S1P
Name:	(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
Formula:	C18 H38 N O5 P
SMILES:	O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(O)O
InChi:	InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
Synonyms:	sphingosine 1-phosphate
Definition date:	2009-07-14
Last modified:	2020-06-17
Identifier:	(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate

S1T

S1T
Name:	2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
Formula:	C15 H23 N3 O8 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C
InChi:	InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m0/s1
Synonyms:	2-[(1S)-1-HYDROXYETHYL]-3-DEAZA-THDP
Definition date:	2007-06-18
Last modified:	2020-06-17
Identifier:	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate

S26

S26
Name:	ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate
Formula:	C18 H13 Cl N2 O4 S2
SMILES:	CCOC(=O)C1=C(O)C(=O)N([CH]1c2sccc2)c3sc4cc(Cl)ccc4n3
InChi:	InChI=1S/C18H13ClN2O4S2/c1-2-25-17(24)13-14(11-4-3-7-26-11)21(16(23)15(13)22)18-20-10-6-5-9(19)8-12(10)27-18/h3-8,14,22H,2H2,1H3/t14-/m1/s1
Synonyms:	PS267
Definition date:	2016-12-22
Last modified:	2020-06-17
Release date:	2017-01-18
Identifier:	ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate

9X1

9X1
Name:	1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}
Formula:	C46 H38 Cl2 N4
SMILES:	c1(ccc(Cl)cc1)N(C)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c8ccc(C[n+]5ccc(c6c5cccc6)N(C)c7ccc(cc7)Cl)cc8
InChi:	InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2
Synonyms:	TCD-717
Definition date:	2017-06-21
Last modified:	2020-06-17
Release date:	2018-02-14
Identifier:	1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}

S44

S44
Name:	(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
Formula:	C32 H41 N O4
SMILES:	O=C(O)C(CC)Cc1cc(c(OCCC)cc1)CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C4)C5
InChi:	InChI=1S/C32H41NO4/c1-3-11-37-29-10-5-21(15-25(4-2)31(35)36)16-27(29)20-33-30(34)26-6-8-28(9-7-26)32-17-22-12-23(18-32)14-24(13-22)19-32/h5-10,16,22-25H,3-4,11-15,17-20H2,1-2H3,(H,33,34)(H,35,36)/t22-,23+,24-,25-,32-/m0/s1
Synonyms:	(S)-2-{3-[(4-adamantan-1-ylbenzoylamino)methyl]-4-propoxybenzyl} butyric acid
Definition date:	2008-05-09
Last modified:	2020-06-17
Identifier:	(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid

9XX

9XX
Name:	(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate
Formula:	C38 H74 O4
SMILES:	C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C
InChi:	InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1
Synonyms:	(S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate
Definition date:	2018-08-29
Last modified:	2020-06-17
Release date:	2018-11-14
Identifier:	(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate

9XY

9XY
Name:	Endoxifen
Formula:	C25 H27 N O2
SMILES:	CNCCOc1ccc(cc1)C(=C(CC)c2ccccc2)c3ccc(cc3)O
InChi:	InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
Synonyms:	4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
Definition date:	2017-06-26
Last modified:	2020-06-17
Release date:	2017-10-11
Identifier:	4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol

S51

S51
Name:	2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole
Formula:	C26 H25 N3 O
SMILES:	O=C(c3c1ccccc1n(c2ccccc2)c3Cc4ccccc4)N5CCNCC5
InChi:	InChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2
Synonyms:	(2-Benzyl-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone
Definition date:	2010-09-03
Last modified:	2020-06-17
Identifier:	(2-benzyl-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone

S52

S52
Name:	2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole
Formula:	C25 H23 N3 O2
SMILES:	O=C(c4c1ccccc1n(c2ccccc2)c4Oc3ccccc3)N5CCNCC5
InChi:	InChI=1S/C25H23N3O2/c29-24(27-17-15-26-16-18-27)23-21-13-7-8-14-22(21)28(19-9-3-1-4-10-19)25(23)30-20-11-5-2-6-12-20/h1-14,26H,15-18H2
Synonyms:	(2-Phenoxy-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone
Definition date:	2010-09-10
Last modified:	2020-06-17
Identifier:	(2-phenoxy-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone

9Z7

9Z7
Name:	(3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
Formula:	C24 H25 N5 O4
SMILES:	c15ccccc1C4(C3(NC(C(=C/c2cncn2)N3C(C(=C4)OC)=O)=O)N5OC)C(C)([C@H]=C)C
InChi:	InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1
Synonyms:	oxaline
Definition date:	2017-06-27
Last modified:	2020-06-17
Release date:	2018-07-04
Identifier:	(3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione

S60

S60
Name:	6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C10 H9 N5 O
SMILES:	O=C1c3c(N=C(N)N1)cc2nc(nc2c3)C
InChi:	InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16)
Synonyms:	2-methyl-lin-Benzoguanine
Definition date:	2008-01-31
Last modified:	2020-06-17
Identifier:	6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

A03

A03
Name:	(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
Formula:	C37 H63 N17 O9
SMILES:	O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)C)CCCNC(=[N@H])N)CCCNC(=[N@H])N
InChi:	InChI=1S/C37H63N17O9/c1-20(51-23(55)12-4-2-7-15-45-34(62)28-26(57)27(58)35(63-28)54-19-50-25-29(38)48-18-49-31(25)54)32(60)44-14-6-3-5-13-24(56)52-22(11-9-17-47-37(42)43)33(61)53-21(30(39)59)10-8-16-46-36(40)41/h18-22,26-28,35,57-58H,2-17H2,1H3,(H2,39,59)(H,44,60)(H,45,62)(H,51,55)(H,52,56)(H,53,61)(H2,38,48,49)(H4,40,41,46)(H4,42,43,47)/t20-,21-,22-,26+,27-,28+,35-/m1/s1
Synonyms:	ARC-1039
Definition date:	2010-05-27
Last modified:	2020-06-17
Identifier:	(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name)

A0B

A0B
Name:	Phloxine B
Formula:	C20 H3 Br4 Cl4 O5
SMILES:	OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c([O-])c(Br)cc24)Br
InChi:	InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)/p-1
Synonyms:	Cyanosine
Definition date:	2017-08-08
Last modified:	2020-06-17
Release date:	2018-03-07
Identifier:	2,4,5,7-tetrakis(bromanyl)-9-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-6-oxidanylidene-xanthen-3-olate

S7M

S7M
Name:	[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls ulfonium
Formula:	C16 H25 N6 O5 S
SMILES:	O=C(O)C(N)CC[S+](CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C16H24N6O5S/c1-2-28(4-3-8(17)16(25)26)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-5,17H2,1H3,(H2-,18,19,20,25,26)/p+1/t8-,9+,11+,12+,15+,28-/m0/s1
Synonyms:	S-ADENOSYL ETHIONINE
Definition date:	2013-06-07
Last modified:	2020-06-17
Release date:	2013-06-19
Identifier:	[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethylsulfonium (non-preferred name)

224

224
Name:	1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE
Formula:	C15 H17 Cl N2 O2
SMILES:	Clc1ccc(cc1)CCC2(OCCO2)Cn3ccnc3
InChi:	InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
Synonyms:	2-[2-(4-CHLOROPHENYL)ETHYL]-2-[(1H-IMIDAZOL-1-YL)METHYL]-1,3-DIOXOLANE
Definition date:	2006-09-07
Last modified:	2020-06-17
Identifier:	1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1H-imidazole

225

225
Name:	FELODIPINE
Formula:	C18 H19 Cl2 N O4
SMILES:	O=C(OC)C1=C(NC(=C(C(=O)OCC)C1c2cccc(Cl)c2Cl)C)C
InChi:	InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3/t15-/m1/s1
Synonyms:	ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Definition date:	2006-10-26
Last modified:	2020-06-17
Identifier:	ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

22U

22U
Name:	D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
Formula:	C21 H24 Cl N3 O2
SMILES:	O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:	InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1
Synonyms:	(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
Definition date:	2007-11-07
Last modified:	2020-06-17
Identifier:	D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide

232

232
Name:	1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANE
Formula:	C49 H56 N6 O2
SMILES:	O(c3cc4c2c1c[n+](ccc1ccc2nc4cc3)CCN5CCC(CC5)CCCC%10CCN(CC[n+]9cc8c7c6cc(OC)ccc6nc7ccc8cc9)CC%10)C
InChi:	InChI=1S/C49H54N6O2/c1-56-38-8-12-44-40(30-38)48-42-32-54(24-18-36(42)6-10-46(48)50-44)28-26-52-20-14-34(15-21-52)4-3-5-35-16-22-53(23-17-35)27-29-55-25-19-37-7-11-47-49(43(37)33-55)41-31-39(57-2)9-13-45(41)51-47/h6-13,18-19,24-25,30-35H,3-5,14-17,20-23,26-29H2,1-2H3/p+2
Synonyms:	BIS INTERCALATOR D232
Definition date:	1999-10-08
Last modified:	2020-06-17
Identifier:	2,2'-[propane-1,3-diylbis(piperidine-4,1-diylethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)

233

233
Name:	[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTER
Formula:	C14 H26 N2 O8
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)CCCCCNC(=O)OC
InChi:	InChI=1S/C14H26N2O8/c1-23-14(22)15-6-4-2-3-5-9(18)16-13-12(21)11(20)10(19)8(7-17)24-13/h8,10-13,17,19-21H,2-7H2,1H3,(H,15,22)(H,16,18)/t8-,10+,11+,12-,13-/m1/s1
Synonyms:	BMSC-0013
Definition date:	2002-08-13
Last modified:	2020-06-17
Identifier:	N-{6-[(methoxycarbonyl)amino]hexanoyl}-beta-D-galactopyranosylamine

239

239
Name:	6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
Formula:	C19 H18 N4 O
SMILES:	O=C(Nc1ccc(cc1)CN)c3cc2ccc(C(=[N@H])N)cc2cc3
InChi:	InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
Synonyms:	6-[N-(4-(AMINOMETHYL)PHENYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE
Definition date:	2003-04-09
Last modified:	2020-06-17
Identifier:	N-[4-(aminomethyl)phenyl]-6-carbamimidoylnaphthalene-2-carboxamide

S98

S98
Name:	6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C14 H12 N6 O S
SMILES:	O=C1c2cc3nc(nc3cc2N=C(N)N1)NCc4sccc4
InChi:	InChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21)
Synonyms:	1-(2-thienyl)methyl-2-amino-lin-Benzogunaine
Definition date:	2008-01-31
Last modified:	2020-06-17
Identifier:	6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

23Y

23Y
Name:	(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside
Formula:	C34 H32 O11
SMILES:	O(c4cc5OC(c1ccc(O)cc1)C(c2cc(O)cc(O)c2)c5c(C=Cc3ccc(O)cc3)c4)C6OC(C(O)C(O)C6O)CO
InChi:	InChI=1S/C34H32O11/c35-16-27-30(40)31(41)32(42)34(45-27)43-25-13-19(4-1-17-2-7-21(36)8-3-17)28-26(15-25)44-33(18-5-9-22(37)10-6-18)29(28)20-11-23(38)14-24(39)12-20/h1-15,27,29-42H,16H2/b4-1+/t27-,29+,30-,31+,32-,33-,34-/m1/s1
Synonyms:	POLYPHENOL EPSILON-VINIFERIN GLUCOSIDE
Definition date:	2013-08-27
Last modified:	2020-06-17
Release date:	2013-09-11
Identifier:	(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside

23Z

23Z
Name:	(2R)-1-{5-acetyl-3-[3-{[2-oxo-2-(1H-pyrrol-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazo lo[4,3-c]pyridin-1-yl}-3-[4-(1-hydroxy-1-methylethyl)piperidin-1-yl]propan-2-ol
Formula:	C32 H40 F3 N5 O4 S
SMILES:	CC(=O)N1CCc2n(C[CH](O)CN3CC[CH](CC3)C(C)(C)O)nc(c4ccc(c(SCC(=O)n5cccc5)c4)C(F)(F)F)c2C1
InChi:	InChI=1S/C32H40F3N5O4S/c1-21(41)39-15-10-27-25(19-39)30(36-40(27)18-24(42)17-37-13-8-23(9-14-37)31(2,3)44)22-6-7-26(32(33,34)35)28(16-22)45-20-29(43)38-11-4-5-12-38/h4-7,11-12,16,23-24,42,44H,8-10,13-15,17-20H2,1-3H3/t24-/m1/s1
Synonyms:	Thioether Acetamide P3 inhibitor
Definition date:	2010-01-18
Last modified:	2020-06-17
Identifier:	2-[5-[5-ethanoyl-1-[(2R)-2-hydroxy-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrol-1-yl-ethanone

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