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TH2

TH2
Name:	TESTOSTERONE HEMISUCCINATE
Formula:	C23 H32 O5
SMILES:	O=C(O)CCC(=O)OC2CCC1C4C(CCC12C)C3(C(=CC(=O)CC3)CC4)C
InChi:	InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1
Synonyms:	4-OXO-4-{[(8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA,17ALPHA)-3-OXOANDROST-4-EN-17-YL]OXY}BUTANOIC ACID
Definition date:	2006-01-06
Last modified:	2021-03-13
Identifier:	4-oxo-4-{[(8alpha,10alpha,13alpha,14beta,17alpha)-3-oxoandrost-4-en-17-yl]oxy}butanoic acid

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

YR3

YR3
Name:	(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol
Formula:	C28 H42 O5
SMILES:	O(c1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC)CC(O)CO
InChi:	InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1
Synonyms:	(2S)-3-[4-(3-{4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]propane-1,2-diol
Definition date:	2008-01-17
Last modified:	2021-03-13
Identifier:	(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol

R1C

R1C
Name:	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)
Formula:	C38 H26 N6 Rh
SMILES:	N1=C8C(=N[Rh]173([n+]4c(c2cccc[n+]23)cccc4)[n+]5ccccc5c6cccc[n+]67)c%10c%11c(ccc%10c9ccccc89)cccc%11
InChi:	InChI=1S/C18H10N2.2C10H8N2.Rh/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20
Synonyms:	DELTA-Rhodium(III)- bis-(2,2'-bipyridyl)-5,6-chrysenequinone diimine
Definition date:	2007-07-10
Last modified:	2021-03-13
Identifier:	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)

UAS

UAS
Name:	Phenindione
Formula:	C15 H10 O2
SMILES:	c1c2C(C(C(=O)c2ccc1)c3ccccc3)=O
InChi:	InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
Synonyms:	2-phenyl-1H-indene-1,3(2H)-dione
Definition date:	2020-05-06
Last modified:	2021-03-13
Release date:	2020-11-11
Identifier:	2-phenyl-1H-indene-1,3(2H)-dione

SNS

SNS
Name:	3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine
Formula:	C27 H31 F2 N5 O2
SMILES:	O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5
InChi:	InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m0/s1
Synonyms:	N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide}
Definition date:	2010-07-27
Last modified:	2021-03-13
Identifier:	N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide}

R1H

R1H
Name:	tariquidar
Formula:	C38 H38 N4 O6
SMILES:	COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c5cnc6ccccc6c5)cc3)Cc2cc1OC
InChi:	InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)
Synonyms:	~{N}-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxy-phenyl]quinoline-3-carboxamide
Definition date:	2020-08-25
Last modified:	2021-03-13
Release date:	2020-10-14
Identifier:	~{N}-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxy-phenyl]quinoline-3-carboxamide

VJ6

VJ6
Name:	valerjesomycin
Formula:	C28 H41 N3 O9
SMILES:	O=C2Nc1cc(cc(OC)c1)COCC(OC)C(OC)C(C=C(C(OC(=O)N)C(OC(=O)N)CCC=C2C)C)C
InChi:	InChI=1S/C28H41N3O9/c1-16-8-7-9-22(39-27(29)33)25(40-28(30)34)18(3)10-17(2)24(37-6)23(36-5)15-38-14-19-11-20(31-26(16)32)13-21(12-19)35-4/h8,10-13,17,22-25H,7,9,14-15H2,1-6H3,(H2,29,33)(H2,30,34)(H,31,32)/b16-8+,18-10+/t17-,22-,23-,24+,25-/m0/s1
Synonyms:	(4E,8S,9S,10E,12S,13R,14S)-13,14,20-trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaene-8,9-diyl dicarbamate
Definition date:	2013-03-22
Last modified:	2021-03-13
Release date:	2013-04-10
Identifier:	(4E,8S,9S,10E,12S,13R,14S)-13,14,20-trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaene-8,9-diyl dicarbamate

UB7

UB7
Name:	terephthalic acid
Formula:	C8 H6 O4
SMILES:	c1c(ccc(c1)C(O)=O)C(=O)O
InChi:	InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Synonyms:	benzene-1,4-dicarboxylic acid
Definition date:	2020-05-06
Last modified:	2021-03-13
Release date:	2020-09-16
Identifier:	benzene-1,4-dicarboxylic acid

RU6

RU6
Name:	(3AS,4R,7R,8S,9S,10R,11R,13R,15R,15AR)-4-ETHYL-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-2,6,14-TRIOXO-1-[4-(4-PYRIDIN-3-YL-1H-IMIDAZOL-1-YL)BUTYL]-10-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}TETRADECAHYDRO-2H-OXACYCLOTETRADECINO[4,3-D][1,3]OXAZOL-8-YL 2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-ALPHA-L-RIBO-HEXOPYRANOSIDE
Formula:	C51 H81 N5 O13
SMILES:	O=C6OC(CC)C3(OC(=O)N(CCCCn1cc(nc1)c2cccnc2)C3C(C(=O)C(C)CC(OC)(C)C(OC4OC(C)CC(N(C)C)C4O)C(C(OC5OC(C(O)C(OC)(C5)C)C)C6C)C)C)C
InChi:	InChI=1S/C51H81N5O13/c1-15-38-51(10)43(56(48(61)69-51)22-17-16-21-55-27-36(53-28-55)35-19-18-20-52-26-35)31(4)40(57)29(2)24-50(9,63-14)45(68-47-41(58)37(54(11)12)23-30(3)64-47)32(5)42(33(6)46(60)66-38)67-39-25-49(8,62-13)44(59)34(7)65-39/h18-20,26-34,37-39,41-45,47,58-59H,15-17,21-25H2,1-14H3/t29-,30-,31+,32+,33-,34+,37+,38-,39+,41-,42+,43-,44+,45-,47+,49-,50-,51-/m1/s1
Synonyms:	(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-DIMETHYLAMINO-3-HYDROXY-6-METHYL-OXAN-2-YL]OXY-13-ETHYL-9-[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYL-OXAN-2-YL]OXY-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-[4-(4-PYRIDIN-3-YLIMIDAZOL-1-YL)BUTYL]-12,15-DIOXA-17-AZABICYCLO[12.3.0]HEPTADECANE-3,11,16-TRIONE
Definition date:	2007-01-17
Last modified:	2021-03-13
Identifier:	(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside

XCT

XCT
Name:	4-AMINO-1-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)PYRIMIDIN-2(1H)-ONE
Formula:	C10 H16 N3 O7 P
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)CC2)COP(=O)(O)O
InChi:	InChI=1S/C10H16N3O7P/c11-8-3-4-13(10(15)12-8)9-2-1-6(14)7(20-9)5-19-21(16,17)18/h3-4,6-7,9,14H,1-2,5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Synonyms:	2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL CYTOSINE
Definition date:	2006-06-20
Last modified:	2021-03-13
Identifier:	4-amino-1-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)pyrimidin-2(1H)-one

RFY

RFY
Name:	I-paroxetine
Formula:	C19 H20 I N O3
SMILES:	c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3)cc4)I
InChi:	InChI=1S/C19H20INO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Synonyms:	(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine
Definition date:	2020-02-11
Last modified:	2021-03-13
Release date:	2020-03-11
Identifier:	(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine

NRA

NRA
Name:	norathyriol
Formula:	C13 H8 O6
SMILES:	O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3
InChi:	InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H
Synonyms:	1,3,6,7-tetrahydroxy-9H-xanthen-9-one
Definition date:	2011-06-13
Last modified:	2021-03-13
Identifier:	1,3,6,7-tetrahydroxy-9H-xanthen-9-one

T3F

T3F
Name:	(3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Formula:	C16 H27 N3 O14 P2
SMILES:	O=P(OC1OC(C(O)C(N)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O
InChi:	InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1
Synonyms:	thymidine-5'-diphosphate-alpha-D-3,6-dideoxy-3-aminogalactose
Definition date:	2009-02-02
Last modified:	2021-03-13
Identifier:	(2R,3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

XD1

XD1
Name:	(2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C8 H14 N2 O3 S
SMILES:	O=C(O)C1NC(SC1(C)C)C(N)C=O
InChi:	InChI=1S/C8H14N2O3S/c1-8(2)5(7(12)13)10-6(14-8)4(9)3-11/h3-6,10H,9H2,1-2H3,(H,12,13)/t4-,5+,6-/m1/s1
Synonyms:	6-aminopenicillian, bound form
Definition date:	2010-06-08
Last modified:	2021-03-13
Identifier:	(2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

XD2

XD2
Name:	(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C18 H20 N6 O5 S2
SMILES:	O=CC(NC(=O)C(O)c1ccccc1)C2SCC(=C(N2)C(=O)O)CSc3nnnn3C
InChi:	InChI=1S/C18H20N6O5S2/c1-24-18(21-22-23-24)31-9-11-8-30-16(20-13(11)17(28)29)12(7-25)19-15(27)14(26)10-5-3-2-4-6-10/h2-7,12,14,16,20,26H,8-9H2,1H3,(H,19,27)(H,28,29)/t12-,14-,16-/m1/s1
Synonyms:	Cefamandole, bound form
Definition date:	2010-06-09
Last modified:	2021-03-13
Identifier:	(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

UBP

UBP
Name:	3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-L-alanine
Formula:	C10 H13 N3 O6
SMILES:	O=C(O)C(N)CN1C=CC(=O)N(C1=O)CCC(=O)O
InChi:	InChI=1S/C10H13N3O6/c11-6(9(17)18)5-12-3-1-7(14)13(10(12)19)4-2-8(15)16/h1,3,6H,2,4-5,11H2,(H,15,16)(H,17,18)/t6-/m0/s1
Synonyms:	(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)pyrimidine-2,4-dione
Definition date:	2009-04-09
Last modified:	2021-03-13
Identifier:	3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-L-alanine

T3Q

T3Q
Name:	[(3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Formula:	C16 H27 N3 O14 P2
SMILES:	O=P(OC1OC(C(O)C(N)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O
InChi:	InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12-,13-,15-/m1/s1
Synonyms:	thymidine-5'-diphosphate-alpha-D-3,6-dideoxy-3-aminoglucose
Definition date:	2009-02-02
Last modified:	2021-03-13
Identifier:	(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

RUT

RUT
Name:	RUTIN
Formula:	C27 H30 O16
SMILES:	O=C3C(OC1OC(C(O)C(O)C1O)COC2OC(C)C(O)C(O)C2O)=C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5
InChi:	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
Synonyms:	2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
Definition date:	2004-01-06
Last modified:	2021-03-13
Identifier:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

T3Y

T3Y
Name:	25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid
Formula:	C28 H24 O16 S4
SMILES:	O=S(=O)(O)c1cc5c(O)c(c1)Cc2c(O)c(cc(c2)S(=O)(=O)O)Cc3c(O)c(cc(c3)S(=O)(=O)O)Cc4cc(cc(c4O)C5)S(=O)(=O)O
InChi:	InChI=1S/C28H24O16S4/c29-25-13-1-14-6-22(46(36,37)38)8-16(26(14)30)3-18-10-24(48(42,43)44)12-20(28(18)32)4-19-11-23(47(39,40)41)9-17(27(19)31)2-15(25)7-21(5-13)45(33,34)35/h5-12,29-32H,1-4H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)
Synonyms:	5,11,17,23-tetra-sulphonato-calix[4]arene-25,26,27,28-tetrol
Definition date:	2011-10-14
Last modified:	2021-03-13
Identifier:	25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid

TX5

TX5
Name:	(1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL
Formula:	C26 H40 O3
SMILES:	C[CH](CC#CC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3
InChi:	InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24?,26-/m1/s1
Synonyms:	19-NOR-14-EPI-23-YNE-1,25 DIHYDROXYVITAMIN D3
Definition date:	2004-07-12
Last modified:	2021-03-13
Identifier:	(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

SP1

SP1
Name:	6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL
Formula:	C10 H12 N5 O5 P S
SMILES:	S=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
InChi:	InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21+/m1/s1
Synonyms:	SP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE
Definition date:	2002-12-13
Last modified:	2021-03-13
Identifier:	(2S,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide

VKD

VKD
Name:	Cobimetinib
Formula:	C21 H21 F3 I N3 O2
SMILES:	C1CCCNC1C4(CN(C(c2c(c(c(cc2)F)F)Nc3ccc(I)cc3F)=O)C4)O
InChi:	InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m1/s1
Synonyms:	{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone
Definition date:	2020-08-21
Last modified:	2021-03-13
Release date:	2020-09-30
Identifier:	{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone

WZB

WZB
Name:	(9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE
Formula:	C20 H30 N2 O6 S2
SMILES:	O=S(=O)(Oc1cc4c(cc1CC)C3CCC2(C(CCC2OS(=O)(=O)N)C3CC4)C)N
InChi:	InChI=1S/C20H30N2O6S2/c1-3-12-10-16-13(11-18(12)27-29(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)28-30(22,25)26/h10-11,14-15,17,19H,3-9H2,1-2H3,(H2,21,23,24)(H2,22,25,26)/t14-,15+,17-,19-,20-/m0/s1
Synonyms:	2-ETHYLESTRADIOL 3,17-O,O-BIS-SULFAMATE
Definition date:	2009-11-23
Last modified:	2021-03-13
Identifier:	(9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate

RV5

RV5
Name:	N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327
Formula:	C14 H17 N5 O2 S
SMILES:	O=C(NCC(=O)N1CCCCC1)Nc2ccc3nnsc3c2
InChi:	InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21)
Synonyms:	1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea
Definition date:	2020-10-22
Last modified:	2021-03-13
Release date:	2021-03-03
Identifier:	1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea

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