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TS6

TS6
Name:	Monothiophosphate
Formula:	H3 O3 P S
SMILES:	O=P(O)(O)S
InChi:	InChI=1S/H3O3PS/c1-4(2,3)5/h(H3,1,2,3,5)
Synonyms:	phosphorothioic O,O,S-acid
Definition date:	2009-08-31
Last modified:	2021-03-13
Identifier:	phosphorothioic O,O,S-acid

VDA

VDA
Name:	(1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol
Formula:	C28 H46 O5 S
SMILES:	O(CCO)C3C(O)C/C(=C/C=C1CCCC2(C(=CCC12)C(SCC(O)(CC)CC)C)C)CC3O
InChi:	InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23-,24+,25+,26+,27+/m0/s1
Synonyms:	(20S)-1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3
Definition date:	2008-04-09
Last modified:	2021-03-13
Identifier:	(1R,2S,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol

VDB

VDB
Name:	(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol
Formula:	C28 H46 O5 S
SMILES:	O(CCO)C3C(O)C/C(=C/C=C1CCCC2(C(=CCC12)C(SCC(O)(CC)CC)C)C)CC3O
InChi:	InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23+,24-,25-,26-,27-/m1/s1
Synonyms:	(20R)-1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3
Definition date:	2008-04-09
Last modified:	2021-03-13
Identifier:	(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol

TSN

TSN
Name:	TRICHOSTATIN A
Formula:	C17 H22 N2 O3
SMILES:	O=C(NO)C=CC(=CC(C(=O)c1ccc(N(C)C)cc1)C)C
InChi:	InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
Synonyms:	7-[4-(DIMETHYLAMINO)PHENYL]-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE
Definition date:	1999-07-30
Last modified:	2021-03-13
Identifier:	(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide

OYE

OYE
Name:	bn7GpppG mRNA 5' cap analog
Formula:	C27 H31 N10 O18 P3
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccccc6)c7C(=O)N=C(N)Nc57)[CH](O)[CH]3O
InChi:	InChI=1S/C27H33N10O18P3/c28-26-31-20-14(22(42)33-26)30-9-36(20)24-18(40)16(38)12(52-24)7-50-56(44,45)54-58(48,49)55-57(46,47)51-8-13-17(39)19(41)25(53-13)37-10-35(6-11-4-2-1-3-5-11)15-21(37)32-27(29)34-23(15)43/h1-5,9-10,12-13,16-19,24-25,38-41H,6-8H2,(H8-,28,29,31,32,33,34,42,43,44,45,46,47,48,49)/p-2/t12-,13-,16-,17-,18-,19-,24-,25-/m1/s1
Synonyms:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
Definition date:	2020-04-07
Last modified:	2021-03-13
Release date:	2020-04-15
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate

QYT

QYT
Name:	(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE
Formula:	C12 H7 N3 O2 S
SMILES:	O=C1C(SC(=O)N1)=Cc3cc2nccnc2cc3
InChi:	InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
Synonyms:	5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE
Definition date:	2005-07-05
Last modified:	2021-03-13
Identifier:	(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

TST

TST
Name:	4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID
Formula:	C18 H26 N2 O5 S2
SMILES:	O=S(=O)(N1C(C(=O)NC(C(=O)O)CC(C)C)CSCC1)c2ccc(cc2)C
InChi:	InChI=1S/C18H26N2O5S2/c1-12(2)10-15(18(22)23)19-17(21)16-11-26-9-8-20(16)27(24,25)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1
Synonyms:	(3R)-4-(P-TOLUENESULFONYL)-1,4-THIAZANE-3-CARBOXYLIC ACID-L-LEUCINE
Definition date:	2001-10-18
Last modified:	2021-03-13
Identifier:	N-({(3R)-4-[(4-methylphenyl)sulfonyl]thiomorpholin-3-yl}carbonyl)-L-leucine

VDX

VDX
Name:	5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
Formula:	C27 H44 O3
SMILES:	OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3
InChi:	InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
Synonyms:	1,25 DIHYDROXY VITAMIN D3
Definition date:	1999-11-03
Last modified:	2021-03-13
Identifier:	(1S,3R,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol

OYW

OYW
Name:	4-Cl-Bn7GpppG mRNA 5' cap analog
Formula:	C27 H33 Cl N10 O18 P3
SMILES:	NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=Nc57)N)C(O)C3O
InChi:	InChI=1S/C27H32ClN10O18P3/c28-11-3-1-10(2-4-11)5-36-9-38(21-15(36)23(44)35-27(30)33-21)25-19(42)17(40)13(54-25)7-52-58(47,48)56-59(49,50)55-57(45,46)51-6-12-16(39)18(41)24(53-12)37-8-31-14-20(37)32-26(29)34-22(14)43/h1-4,8-9,12-13,16-19,24-25,39-42H,5-7H2,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t12?,13-,16?,17-,18?,19-,24?,25-/m1/s1
Synonyms:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Definition date:	2020-04-08
Last modified:	2021-03-13
Release date:	2020-06-10
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

3MM

3MM
Name:	(1R)-1-CARBOXY-N,N,N-TRIMETHYL-3-(METHYLSULFANYL)PROPAN-1-AMINIUM
Formula:	C8 H18 N O2 S
SMILES:	O=C(O)C([N+](C)(C)C)CCSC
InChi:	InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1
Synonyms:	N,N,N-TRIMETHYL-L-METHIONINE
Definition date:	2008-03-17
Last modified:	2021-03-13
Identifier:	(1R)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium

SMI

SMI
Name:	SPECTINOMYCIN
Formula:	C14 H26 N2 O8
SMILES:	O1C3C(OC2(O)C1OC(C)CC2(O)O)C(NC)C(O)C(NC)C3O
InChi:	InChI=1S/C14H26N2O8/c1-5-4-13(19,20)14(21)12(22-5)23-11-9(18)6(15-2)8(17)7(16-3)10(11)24-14/h5-12,15-21H,4H2,1-3H3/t5-,6-,7+,8+,9+,10-,11-,12+,14-/m1/s1
Synonyms:	(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol
Definition date:	2009-06-30
Last modified:	2021-03-13
Identifier:	(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol

3NA

3NA
Name:	{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID
Formula:	C18 H11 F3 N2 O2 S
SMILES:	O=C(O)Cn2c1ccccc1c(c2)Cc3nc4c(F)c(F)cc(F)c4s3
InChi:	InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
Synonyms:	3-[(4,5,7-TRIFLUOROBENZOTHIAZOL-2-YL)METHYL]INDOLE-N-ACETIC ACID
Definition date:	2005-03-17
Last modified:	2021-03-13
Identifier:	{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid

NCE

NCE
Name:	3,6-Bis[(3-morpholinopropionamido)] acridine
Formula:	C27 H33 N5 O4
SMILES:	O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCOCC4)CCN5CCOCC5
InChi:	InChI=1S/C27H33N5O4/c33-26(5-7-31-9-13-35-14-10-31)28-22-3-1-20-17-21-2-4-23(19-25(21)30-24(20)18-22)29-27(34)6-8-32-11-15-36-16-12-32/h1-4,17-19H,5-16H2,(H,28,33)(H,29,34)
Synonyms:	N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)
Definition date:	2008-09-26
Last modified:	2021-03-13
Identifier:	N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)

NCI

NCI
Name:	3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine
Formula:	C33 H45 N5 O2
SMILES:	O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C(CC)CCCC5
InChi:	InChI=1S/C33H45N5O2/c1-3-28-9-5-7-17-37(28)19-15-32(39)34-26-13-11-24-21-25-12-14-27(23-31(25)36-30(24)22-26)35-33(40)16-20-38-18-8-6-10-29(38)4-2/h11-14,21-23,28-29H,3-10,15-20H2,1-2H3,(H,34,39)(H,35,40)/t28-,29-/m1/s1
Synonyms:	N,N'-acridine-3,6-diylbis{3-[(2R)-2-ethylpiperidin-1-yl]propanamide}
Definition date:	2008-10-02
Last modified:	2021-03-13
Identifier:	N,N'-acridine-3,6-diylbis{3-[(2R)-2-ethylpiperidin-1-yl]propanamide}

NCJ

NCJ
Name:	3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine
Formula:	C31 H41 N5 O2
SMILES:	O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4C(CCCC4)C)CCN5C(C)CCCC5
InChi:	InChI=1S/C31H41N5O2/c1-22-7-3-5-15-35(22)17-13-30(37)32-26-11-9-24-19-25-10-12-27(21-29(25)34-28(24)20-26)33-31(38)14-18-36-16-6-4-8-23(36)2/h9-12,19-23H,3-8,13-18H2,1-2H3,(H,32,37)(H,33,38)/t22-,23-/m1/s1
Synonyms:	N,N'-acridine-3,6-diylbis{3-[(2R)-2-methylpiperidin-1-yl]propanamide}
Definition date:	2008-10-06
Last modified:	2021-03-13
Identifier:	N,N'-acridine-3,6-diylbis{3-[(2R)-2-methylpiperidin-1-yl]propanamide}

NCK

NCK
Name:	3,6-Bis[3-(4-methylpiperidino)propionamido]acridine
Formula:	C31 H41 N5 O2
SMILES:	O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCC(CC4)C)CCN5CCC(C)CC5
InChi:	InChI=1S/C31H41N5O2/c1-22-7-13-35(14-8-22)17-11-30(37)32-26-5-3-24-19-25-4-6-27(21-29(25)34-28(24)20-26)33-31(38)12-18-36-15-9-23(2)10-16-36/h3-6,19-23H,7-18H2,1-2H3,(H,32,37)(H,33,38)
Synonyms:	N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide]
Definition date:	2008-10-06
Last modified:	2021-03-13
Identifier:	N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide]

SMX

SMX
Name:	(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Formula:	C18 H18 N6 O5 S2
SMILES:	O=C(O)C=2N4C(=O)C(NC(=O)C(O)c1ccccc1)C4SCC=2CSc3nnnn3C
InChi:	InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Synonyms:	CEFAMANDOLE, free form
Definition date:	2010-09-17
Last modified:	2021-03-13
Identifier:	(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

TUA

TUA
Name:	prednisolone
Formula:	C21 H28 O5
SMILES:	C2=CC(=O)C=C3CCC1C4C(CC(C1C23C)O)(C(CC4)(O)C(CO)=O)C
InChi:	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
Synonyms:	(11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione
Definition date:	2020-03-31
Last modified:	2021-03-13
Release date:	2020-11-04
Identifier:	(11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione

NCQ

NCQ
Name:	3,6-Bis[3-(azepan-1-yl)propionamido]acridine
Formula:	C31 H41 N5 O2
SMILES:	O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCCCC4)CCN5CCCCCC5
InChi:	InChI=1S/C31H41N5O2/c37-30(13-19-35-15-5-1-2-6-16-35)32-26-11-9-24-21-25-10-12-27(23-29(25)34-28(24)22-26)33-31(38)14-20-36-17-7-3-4-8-18-36/h9-12,21-23H,1-8,13-20H2,(H,32,37)(H,33,38)
Synonyms:	N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide)
Definition date:	2008-10-13
Last modified:	2021-03-13
Identifier:	N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide)

P06

P06
Name:	Dabrafenib
Formula:	C23 H20 F3 N5 O2 S2
SMILES:	c4(N)nc(c1c(nc(s1)C(C)(C)C)c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)ccn4
InChi:	InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
Synonyms:	N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
Definition date:	2013-04-11
Last modified:	2021-03-13
Release date:	2015-10-28
Identifier:	N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

P0C

P0C
Name:	6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one
Formula:	C12 H15 N3 O5
SMILES:	O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)C=C(N3)C
InChi:	InChI=1S/C12H15N3O5/c1-5-2-6-3-15(12(19)14-10(6)13-5)11-9(18)8(17)7(4-16)20-11/h2-3,7-9,11,16-18H,4H2,1H3,(H,13,14,19)/t7-,8-,9-,11-/m1/s1
Synonyms:	6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one
Definition date:	2014-05-16
Last modified:	2021-03-13
Release date:	2014-08-13
Identifier:	6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one

3O7

3O7
Name:	1,4,5,8-tetrahydroxyanthracene-9,10-dione
Formula:	C14 H8 O6
SMILES:	O=C2c1c(c(O)ccc1O)C(=O)c3c2c(O)ccc3O
InChi:	InChI=1S/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H
Synonyms:	1,4,5,8-Tetrahydroxy anthraquinone
Definition date:	2014-09-29
Last modified:	2021-03-13
Release date:	2015-03-18
Identifier:	1,4,5,8-tetrahydroxyanthracene-9,10-dione

SNE

SNE
Name:	Sabinene
Formula:	C10 H16
SMILES:	C=C1/CCC2(C(C)C)CC12
InChi:	InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
Synonyms:	(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
Definition date:	2014-11-06
Last modified:	2021-03-13
Release date:	2015-01-28
Identifier:	(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane

R0Z

R0Z
Name:	elacridar
Formula:	C34 H33 N3 O5
SMILES:	COc1cccc2C(=O)c3cccc(C(=O)Nc4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)c3Nc12
InChi:	InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)
Synonyms:	~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide
Definition date:	2020-08-25
Last modified:	2021-03-13
Release date:	2020-10-14
Identifier:	~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide

TUV

TUV
Name:	vamorolone
Formula:	C22 H28 O4
SMILES:	C12(C)C=CC(=O)C=C1CCC4C2=CCC3(C)C(C(CO)=O)(C(CC34)C)O
InChi:	InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18-,20+,21+,22+/m1/s1
Synonyms:	(8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione
Definition date:	2020-04-01
Last modified:	2021-03-13
Release date:	2020-11-04
Identifier:	(8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione

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