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W11

W11
Name:	3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
Formula:	C18 H18 F3 N3 O3
SMILES:	FC(F)(F)c1nc(no1)c3cc(c(OCCCc2onc(c2)C)c(c3)C)C
InChi:	InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3
Synonyms:	WIN63843
Definition date:	2000-06-15
Last modified:	2020-06-17
Identifier:	3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole

TMH

TMH
Name:	(+)-alpha-Pinene
Formula:	C10 H16
SMILES:	C1(=CCC2CC1C2(C)C)C
InChi:	InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
Synonyms:	(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE
Definition date:	2002-09-26
Last modified:	2020-06-17
Identifier:	(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

TMI

TMI
Name:	1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE
Formula:	C22 H18 N2
SMILES:	n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4
InChi:	InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1
Synonyms:	BIFONAZOLE
Definition date:	2005-10-27
Last modified:	2020-06-17
Identifier:	1-[(S)-biphenyl-4-yl(phenyl)methyl]-1H-imidazole

U10

U10
Name:	UBIQUINONE-10
Formula:	C59 H90 O4
SMILES:	O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:	InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
Synonyms:	Coenzyme Q10
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

ZXI

ZXI
Name:	1-(4-iodophenyl)methanamine
Formula:	C7 H8 I N
SMILES:	C(c1ccc(cc1)I)N
InChi:	InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
Synonyms:	4-Iodobenzylamine
Definition date:	2017-12-28
Last modified:	2020-06-17
Release date:	2018-12-26
Identifier:	1-(4-iodophenyl)methanamine

U11

U11
Name:	METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE
Formula:	C16 H20 F3 N3 O5
SMILES:	FC(F)(F)c1ccc(cc1)C(N)C(O)C(=O)NC(C(=O)NCC(=O)OC)C
InChi:	InChI=1S/C16H20F3N3O5/c1-8(14(25)21-7-11(23)27-2)22-15(26)13(24)12(20)9-3-5-10(6-4-9)16(17,18)19/h3-6,8,12-13,24H,7,20H2,1-2H3,(H,21,25)(H,22,26)/t8-,12+,13-/m0/s1
Synonyms:	{2-[3-AMINO-2-HYDROXY-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-ACETIC ACID METHYL ESTER
Definition date:	2006-04-03
Last modified:	2020-06-17
Identifier:	methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}-L-alanylglycinate

U15

U15
Name:	METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE
Formula:	C20 H31 N3 O5
SMILES:	O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C)C)CC(C)C
InChi:	InChI=1S/C20H31N3O5/c1-11(2)10-15(20(27)28-5)23-18(25)13(4)22-19(26)17(24)16(21)14-8-6-12(3)7-9-14/h6-9,11,13,15-17,24H,10,21H2,1-5H3,(H,22,26)(H,23,25)/t13-,15+,16+,17-/m0/s1
Synonyms:	2-[2-(3-AMINO-2-HYDROXY-3-P-TOLYL-PROPIONYLAMINO)-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER
Definition date:	2006-04-03
Last modified:	2020-06-17
Identifier:	methyl N-[(2S,3R)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-L-alanyl-D-leucinate

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

U17

U17
Name:	METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-L-SERYL-L-LEUCINATE
Formula:	C17 H33 N3 O6
SMILES:	O=C(NC(C(=O)OC)CC(C)C)C(NC(=O)C(O)C(N)CCCC)CO
InChi:	InChI=1S/C17H33N3O6/c1-5-6-7-11(18)14(22)16(24)20-13(9-21)15(23)19-12(8-10(2)3)17(25)26-4/h10-14,21-22H,5-9,18H2,1-4H3,(H,19,23)(H,20,24)/t11-,12+,13+,14+/m1/s1
Synonyms:	2-[2-(3-AMINO-2-HYDROXY-HEPTANOYLAMINO)-3-HYDROXY-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER
Definition date:	2006-04-03
Last modified:	2020-06-17
Identifier:	methyl N-[(2S,3R)-3-amino-2-hydroxyheptanoyl]-L-seryl-L-leucinate

PZH

PZH
Name:	1-(4-BROMOPHENYL)METHANAMINE
Formula:	C7 H8 Br N
SMILES:	Brc1ccc(cc1)CN
InChi:	InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
Synonyms:	4-BROMOBENZYLAMINE
Definition date:	2006-07-21
Last modified:	2020-06-17
Release date:	2014-03-19
Identifier:	1-(4-bromophenyl)methanamine

ZXU

ZXU
Name:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-L-tyrosinamide
Formula:	C36 H32 N2 O12
SMILES:	N(C(C(=O)NCCCOC=1C(=O)c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)Cc4ccc(cc4)O)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O
InChi:	InChI=1S/C36H32N2O12/c39-22-7-2-19(3-8-22)14-24(38-31(46)11-5-20-4-9-25(41)27(43)15-20)36(48)37-12-1-13-49-35-33(47)32-29(45)17-23(40)18-30(32)50-34(35)21-6-10-26(42)28(44)16-21/h2-11,15-18,24,39-45H,1,12-14H2,(H,37,48)(H,38,46)/b11-5+/t24-/m0/s1
Synonyms:	synthetic Montbretin A analogue
Definition date:	2019-03-22
Last modified:	2020-06-17
Release date:	2020-02-12
Identifier:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-tyrosinamide

B14

B14
Name:	1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE
Formula:	C19 H16 F2 N6 O
SMILES:	N#Cc1ncc(cc1)C(=O)N4CCC3(N=C(c2c(c(F)ccc2F)N3)N)CC4
InChi:	InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
Synonyms:	AR-C102222
Definition date:	2005-10-03
Last modified:	2020-06-17
Identifier:	5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]pyridine-2-carbonitrile

S06

S06
Name:	(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
Formula:	C18 H21 N O6
SMILES:	O1C(C(O)C(O)C(O)C14ONC(c3cc2ccccc2cc3)C4)CO
InChi:	InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1
Synonyms:	(1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]
Definition date:	2007-09-04
Last modified:	2020-06-17
Identifier:	(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-naphthalen-2-yl-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol

RLT

RLT
Name:	N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide
Formula:	C20 H21 F N6 O5
SMILES:	CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O
InChi:	InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
Synonyms:	RALTEGRAVIR, MK0518
Definition date:	2009-12-28
Last modified:	2020-06-17
Identifier:	N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

B1C

B1C
Name:	N-(tert-butoxycarbonyl)-L-tyrosine
Formula:	C14 H19 N O5
SMILES:	O=C(NC(Cc1ccc(cc1)O)C(O)=O)OC(C)(C)C
InChi:	InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
Synonyms:	BOC-TYR
Definition date:	2016-11-14
Last modified:	2020-06-17
Release date:	2016-11-30
Identifier:	N-(tert-butoxycarbonyl)-L-tyrosine

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

TNA

TNA
Name:	N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid
Formula:	C13 H23 N3 O8
SMILES:	O=C(O)C(NCCC(NCCC(N)C(=O)O)C(=O)O)CCC(=O)O
InChi:	InChI=1S/C13H23N3O8/c14-7(11(19)20)3-5-15-9(13(23)24)4-6-16-8(12(21)22)1-2-10(17)18/h7-9,15-16H,1-6,14H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t7-,8-,9-/m0/s1
Synonyms:	thermonicotianamine
Definition date:	2009-01-07
Last modified:	2020-06-17
Identifier:	N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid

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

SF1

SF1
Name:	1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Formula:	C22 H16 Cl N O2 S
SMILES:	Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O)O)Cc4ccccc4
InChi:	InChI=1S/C22H16ClNO2S/c23-16-11-12-19-18(13-16)21(27-17-9-5-2-6-10-17)20(22(25)26)24(19)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,25,26)
Synonyms:	SR145
Definition date:	2007-06-25
Last modified:	2020-06-17
Identifier:	1-benzyl-5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid

SF2

SF2
Name:	5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Formula:	C23 H18 Cl N O3 S
SMILES:	Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O)O)Cc4cccc(OC)c4
InChi:	InChI=1S/C23H18ClNO3S/c1-28-17-7-5-6-15(12-17)14-25-20-11-10-16(24)13-19(20)22(21(25)23(26)27)29-18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,26,27)
Synonyms:	SF147
Definition date:	2007-06-25
Last modified:	2020-06-17
Identifier:	5-chloro-1-(3-methoxybenzyl)-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid

B1L

B1L
Name:	3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE
Formula:	C20 H22 N2 O5
SMILES:	O=C(OC2CCCNCC2NC(=O)c1ccc(O)cc1)c3ccc(O)cc3
InChi:	InChI=1S/C20H22N2O5/c23-15-7-3-13(4-8-15)19(25)22-17-12-21-11-1-2-18(17)27-20(26)14-5-9-16(24)10-6-14/h3-10,17-18,21,23-24H,1-2,11-12H2,(H,22,25)/t17-,18-/m1/s1
Synonyms:	BALANOL ANALOG 1
Definition date:	2003-12-02
Last modified:	2020-06-17
Identifier:	(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-hydroxybenzoate

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

QFJ

QFJ
Name:	propionylthiocholine
Formula:	C8 H18 N O S
SMILES:	C[N+](C)(C)CCSC(CC)=O
InChi:	InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
Synonyms:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium
Definition date:	2019-10-22
Last modified:	2020-06-17
Release date:	2020-05-13
Identifier:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium

TNE

TNE
Name:	8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE
Formula:	C8 H13 N O
SMILES:	O=C1CC2N(C)C(C1)CC2
InChi:	InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
Synonyms:	TROPINONE
Definition date:	2001-05-16
Last modified:	2020-06-17
Identifier:	(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

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

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