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SPU

SPU
Name:	2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
Formula:	C23 H50 N2 O5 P
SMILES:	O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1
Synonyms:	sphingosylphosphorylcholine, sphingosine phosphorylcholine
Definition date:	2009-07-28
Last modified:	2020-06-17
Identifier:	2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium

SQ
Name:	3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE
Formula:	C7 H12 N2 O2
SMILES:	O=C1C(=O)C(NCC)C1NC
InChi:	InChI=1S/C7H12N2O2/c1-3-9-5-4(8-2)6(10)7(5)11/h4-5,8-9H,3H2,1-2H3
Synonyms:	SQUARIC ACID
Definition date:	2002-08-13
Last modified:	2020-06-17
Identifier:	(3R,4S)-3-(ethylamino)-4-(methylamino)cyclobutane-1,2-dione

SQS

SQS
Name:	(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol
Formula:	C18 H37 N O2
SMILES:	OCC(N)C(O)/C=C/CCCCCCCCCCCCC
InChi:	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
Synonyms:	D-Sphingosine
Definition date:	2013-04-26
Last modified:	2020-06-17
Release date:	2013-05-08
Identifier:	(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol

SQU

SQU
Name:	2,10,23-TRIMETHYL-TETRACOSANE
Formula:	C27 H56
SMILES:	C(CCCCCCCC(C)CCCCCCCCCCCCC(C)C)(C)C
InChi:	InChI=1S/C27H56/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h25-27H,6-24H2,1-5H3/t27-/m1/s1
Synonyms:	LIPID FRAGMENT
Definition date:	1999-09-16
Last modified:	2020-06-17
Identifier:	(10R)-2,10,23-trimethyltetracosane

7PP

7PP
Name:	5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol
Formula:	C21 H24 Cl N5 O2
SMILES:	Clc1nc(nc2c1c(C#CCC(O)(C)C)cn2Cc3ncc(c(OC)c3C)C)N
InChi:	InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)
Synonyms:	EC44
Definition date:	2010-06-25
Last modified:	2020-06-17
Identifier:	5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2-ol

7PT

7PT
Name:	pentalenolactone
Formula:	C15 H16 O5
SMILES:	C1(C4C3(C=C1C)C2(OC2)C(=O)OCC3C(=C4)C(O)=O)C
InChi:	InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1
Synonyms:	(2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9 '-carboxylic acid
Definition date:	2016-08-04
Last modified:	2020-06-17
Release date:	2016-09-14
Identifier:	(2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid

SRE

SRE
Name:	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Formula:	C17 H17 Cl2 N
SMILES:	Clc1ccc(cc1Cl)C3c2c(cccc2)C(NC)CC3
InChi:	InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
Synonyms:	Sertraline
Definition date:	2009-04-03
Last modified:	2020-06-17
Identifier:	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

SRL

SRL
Name:	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
Formula:	C24 H42 O7 P2
SMILES:	O=P(OCC)(OCC)/C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC
InChi:	InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3
Synonyms:	SR12813
Definition date:	2001-05-22
Last modified:	2020-06-17
Identifier:	tetraethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonate)

SRY

SRY
Name:	STREPTOMYCIN
Formula:	C21 H39 N7 O12
SMILES:	O=CC3(O)C(OC1OC(C(O)C(O)C1NC)CO)C(OC2C(NC(=[N@H])N)C(O)C(NC(=[N@H])N)C(O)C2O)OC3C
InChi:	InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
Synonyms:	STREPTOMYCIN A
Definition date:	2000-08-25
Last modified:	2020-06-17
Identifier:	N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine

SS2

SS2
Name:	(1R)-1-PHENYLETHANOL
Formula:	C8 H10 O
SMILES:	OC(c1ccccc1)C
InChi:	InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
Synonyms:	1-PHENYLETHANOL
Definition date:	2005-06-13
Last modified:	2020-06-17
Identifier:	(1R)-1-phenylethanol

SSD

SSD
Name:	1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT
Formula:	C9 H18 O9 S2
SMILES:	[O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1
InChi:	InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6+,7+,8+,9-,19+/m0/s1
Synonyms:	DIASTEREOMER OF SALACINOL
Definition date:	2004-06-22
Last modified:	2020-06-17
Identifier:	({[(1R,2R)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)

SSI

SSI
Name:	[(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
Formula:	C11 H17 N4 O5 P
SMILES:	O=P(O)(O)CCC(NCc2c1N=CNC(=O)c1nc2)CO
InChi:	InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m0/s1
Synonyms:	S-SerMe-ImmH phosphonate
Definition date:	2010-09-27
Last modified:	2020-06-17
Identifier:	[(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid

SSR

SSR
Name:	2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol
Formula:	C28 H28 F N3 O2
SMILES:	O=C(c3c1c(c(O)ccc1n(c2ccccc2)c3Cc4cccc(F)c4C)C)N5CCNCC5
InChi:	InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3
Synonyms:	[2-(3-Fluoro-2-methyl-benzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-piperazin-1-yl-methanone
Definition date:	2010-09-01
Last modified:	2020-06-17
Identifier:	[2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](piperazin-1-yl)methanone

SST

SST
Name:	L-arabinitol
Formula:	C5 H12 O5
SMILES:	OC(CO)C(O)C(O)CO
InChi:	InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
Synonyms:	(2S,4S)-pentane-1,2,3,4,5-pentol
Definition date:	2014-09-02
Last modified:	2020-06-17
Release date:	2015-08-12
Identifier:	L-arabinitol

SSU

SSU
Name:	URIDINE-5'-PHOSPHOROTHIOATE
Formula:	C9 H13 N2 O8 P S
SMILES:	O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=S)(O)O
InChi:	InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1
Synonyms:	SP-SULFUR-SUBSTITUTED URIDINE
Definition date:	2003-04-09
Last modified:	2020-06-17
Identifier:	5'-O-thiophosphonouridine

7RS

7RS
Name:	N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide
Formula:	C20 H24 F2 N4 O
SMILES:	C3N(Cc1cc(c(C)cc1)NC(=O)CNc2ccc(c(c2)F)F)CCNC3
InChi:	InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27)
Synonyms:	antagonist GW791343
Definition date:	2016-12-02
Last modified:	2020-06-17
Release date:	2017-01-04
Identifier:	N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide

7RV

7RV
Name:	N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide
Formula:	C28 H32 N4 O2 S
SMILES:	C1COCCC1(CNC(=O)c2cccnc2Sc3ccccc3)N4CCN(CC4)c5ccccc5
InChi:	InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)
Synonyms:	antagonist JNJ47965567
Definition date:	2016-12-02
Last modified:	2020-06-17
Release date:	2017-01-04
Identifier:	N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide

7RY

7RY
Name:	N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide
Formula:	C25 H34 N4 O2
SMILES:	C(Nc5ccc1c(cccc1NC(CC43CC2CC(CC(C2)C3)C4)=O)n5)CNCCO
InChi:	InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)/t17-,18+,19-,25-
Synonyms:	antagonist AZ10606120
Definition date:	2016-12-02
Last modified:	2020-06-17
Release date:	2017-01-04
Identifier:	N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide

STI

STI
Name:	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
Formula:	C29 H31 N7 O
SMILES:	O=C(Nc3ccc(c(Nc2nc(c1cccnc1)ccn2)c3)C)c4ccc(cc4)CN5CCN(CC5)C
InChi:	InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
Synonyms:	STI-571
Definition date:	2001-04-11
Last modified:	2020-06-17
Identifier:	4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide

STX

STX
Name:	1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE
Formula:	C9 H15 N3 O2
SMILES:	O=C(c1nnc(o1)C(C)(C)C)CNC
InChi:	InChI=1S/C9H15N3O2/c1-9(2,3)8-12-11-7(14-8)6(13)5-10-4/h10H,5H2,1-4H3
Synonyms:	2-SARCOSINYL-5-TERT-BUTYL-[1,3,4]-OXADIAZOLE
Definition date:	2005-04-25
Last modified:	2020-06-17
Identifier:	1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone

SU2

SU2
Name:	3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE
Formula:	C20 H21 N3 O2
SMILES:	O=C2Nc1ccccc1C2Cc3ccc(cc3)N4CCN(C=O)CC4
InChi:	InChI=1S/C20H21N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,14,18H,9-13H2,(H,21,25)
Synonyms:	SU4984
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	4-(4-{[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)piperazine-1-carbaldehyde

SU4

SU4
Name:	N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide
Formula:	C18 H21 N O4 S
SMILES:	O=S(=O)(N(CC(O)(c1ccccc1)C)C2CC2)c3ccc(O)cc3
InChi:	InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m0/s1
Synonyms:	HYDROXYBENZENESULFONAMIDE
Definition date:	2011-06-06
Last modified:	2020-06-17
Identifier:	N-cyclopropyl-4-hydroxy-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide

SU6

SU6
Name:	3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
Formula:	C18 H18 N2 O3
SMILES:	O=C(O)CCc1c(c(nc1C)/C=C3/c2ccccc2NC3=O)C
InChi:	InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
Synonyms:	SU6668
Definition date:	2013-04-02
Last modified:	2020-06-17
Release date:	2013-06-19
Identifier:	3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

SUE

SUE
Name:	(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide
Formula:	C38 H50 N6 O9 S
SMILES:	O=S(=O)(NC(=O)C6(NC(=O)C1N2C(=O)C(NC(=O)OC5C(CCCCCc3nc4c(nc3OC(C1)C2)cc(OC)cc4)C5)C(C)(C)C)CC6/C=C)C7CC7
InChi:	InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1
Synonyms:	Grazoprevir, MK-5172
Definition date:	2011-08-04
Last modified:	2020-06-17
Release date:	2012-09-14
Identifier:	(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide

SUG

SUG
Name:	N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE
Formula:	C10 H18 N4 O5
SMILES:	O=C(NC(C(=O)O)CCCNC(=[N@H])N)CCC(=O)O
InChi:	InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1
Synonyms:	N~2~-SUCCINYLARGININE
Definition date:	2005-02-04
Last modified:	2020-06-17
Identifier:	N~2~-(3-carboxypropanoyl)-L-arginine

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