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EPJ

EPJ
Name:	EPIBATIDINE
Formula:	C11 H13 Cl N2
SMILES:	Clc1ncc(cc1)C3CC2NC3CC2
InChi:	InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
Synonyms:	(2R)-2-(6-CHLOROPYRIDIN-3-YL)-7-AZABICYCLO[2.2.1]HEPTANE
Definition date:	2003-08-06
Last modified:	2021-03-01
Identifier:	(1R,2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane

EPR

EPR
Name:	{5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Formula:	C15 H13 N O3 S2
SMILES:	S=C1S/C(C(=O)N1CC(=O)O)=C/C(=C/c2ccccc2)C
InChi:	InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8?
Synonyms:	Epalrestat
Definition date:	2013-03-25
Last modified:	2021-03-01
Release date:	2013-10-23
Identifier:	{(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid

ERO

ERO
Name:	5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C7 H6 N2 O4
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)/C=C
InChi:	InChI=1S/C7H6N2O4/c1-2-3-4(6(11)12)8-7(13)9-5(3)10/h2H,1H2,(H,11,12)(H2,8,9,10,13)
Synonyms:	5-vinyl-orotic acid
Definition date:	2012-11-19
Last modified:	2021-03-01
Release date:	2013-11-20
Identifier:	5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

ERT

ERT
Name:	METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE
Formula:	C31 H37 N O11
SMILES:	O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C(C(=O)OC)C(O)(CC5OC4OC(C(O)C(N(C)C)C4)C)CC
InChi:	InChI=1S/C31H37NO11/c1-7-31(39)12-17(43-18-11-15(32(3)4)25(33)13(2)42-18)20-21(24(31)30(38)41-6)29(37)22-23(28(20)36)27(35)19-14(26(22)34)9-8-10-16(19)40-5/h8-10,13,15,17-18,24-25,33,36-37,39H,7,11-12H2,1-6H3/t13-,15-,17-,18-,24-,25+,31+/m0/s1
Synonyms:	4-METHOXY-E-RHODOMYCIN T
Definition date:	2004-07-06
Last modified:	2021-03-01
Identifier:	methyl (1R,2R,4S)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

ETS

ETS
Name:	(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
Formula:	C10 H16 N2 O4 S3
SMILES:	O=S(=O)(c1sc2c(c1)C(NCC)CC(S2(=O)=O)C)N
InChi:	InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
Synonyms:	Dorzolamide
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide

EW4

EW4
Name:	[3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
Formula:	C29 H39 N7 O
SMILES:	c1(ccn(c1)CC3CCN(C2CCCCC=C2)CC3)C(=O)N6CC(n4cnc5c4cc(C)nc5N)(C6)C
InChi:	InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1
Synonyms:	MTF9975
Definition date:	2018-02-05
Last modified:	2021-03-01
Release date:	2018-03-14
Identifier:	[3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone

EWH

EWH
Name:	~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Formula:	C24 H26 Cl N7 O
SMILES:	CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NC(=O)C=C)n3)cc2
InChi:	InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)
Synonyms:	SM1-71
Definition date:	2018-04-27
Last modified:	2021-03-01
Release date:	2019-02-27
Identifier:	~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

DCJ

DCJ
Name:	N-((1-(2,6-DICARBOXYPYRIDIN-4-YL)-1H-1,2,3-TRIAZOL-4-YL)METHYL)-2-HYDROXY-N,N-DIMETHYLETHANAMINIUM
Formula:	C14 H18 N5 O5
SMILES:	O=C(O)c1nc(cc(c1)n2nnc(c2)C[N+](CCO)(C)C)C(=O)O
InChi:	InChI=1S/C14H17N5O5/c1-19(2,3-4-20)8-9-7-18(17-16-9)10-5-11(13(21)22)15-12(6-10)14(23)24/h5-7,20H,3-4,8H2,1-2H3,(H-,21,22,23,24)/p+1
Synonyms:	HYDROXYETHYLCHOLINETRIAZOLEDIPICOLINATE
Definition date:	2012-09-14
Last modified:	2021-03-01
Release date:	2012-11-09
Identifier:	N-{[1-(2,6-dicarboxypyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}-2-hydroxy-N,N-dimethylethanaminium

DCX

DCX
Name:	DECYL(DIMETHYL)PHOSPHINE OXIDE
Formula:	C12 H27 O P
SMILES:	O=P(CCCCCCCCCC)(C)C
InChi:	InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3
Synonyms:	DIMETHYLDECYLPHOSPHINE OXIDE
Definition date:	2007-07-25
Last modified:	2021-03-01
Identifier:	decyl(dimethyl)phosphane oxide

DD6

DD6
Name:	(3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol
Formula:	C40 H54 O3
SMILES:	CC([C@H]=C[C@H]=C(C#CC=1C(C)(C)CC(CC=1C)O)C)=[C@H]C=[C@H]C=C(/C)C=CC=C(/C)C=C/C32OC2(CC(CC3(C)C)O)C
InChi:	InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23-,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
Synonyms:	Diadinoxanthin
Definition date:	2018-10-17
Last modified:	2021-03-01
Release date:	2019-02-06
Identifier:	(3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol

DF0

DF0
Name:	(2-fluorobiphenyl-4-yl)acetic acid
Formula:	C14 H11 F O2
SMILES:	Fc2cc(ccc2c1ccccc1)CC(=O)O
InChi:	InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17)
Synonyms:	Des-methylflurbiprofen
Definition date:	2012-06-29
Last modified:	2021-03-01
Release date:	2012-08-24
Identifier:	(2-fluorobiphenyl-4-yl)acetic acid

DFV

DFV
Name:	7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
Formula:	C15 H12 O4
SMILES:	O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3
InChi:	InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
Synonyms:	5-DEOXYFLAVANONE
Definition date:	2000-08-29
Last modified:	2021-03-01
Identifier:	(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

DGB

DGB
Name:	(2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
Formula:	C24 H29 N3 O2
SMILES:	O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3
InChi:	InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
Synonyms:	FK-866
Definition date:	2006-03-09
Last modified:	2021-03-01
Identifier:	(2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide

DGJ

DGJ
Name:	(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C6 H13 N O4
SMILES:	OC1C(NCC(O)C1O)CO
InChi:	InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1
Synonyms:	1-deoxygalactonojirimycin
Definition date:	2011-07-01
Last modified:	2021-03-01
Identifier:	(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol

DGQ

DGQ
Name:	(S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid
Formula:	C15 H31 B10 N3 O8
SMILES:	OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]58%14[BH]%11%15%16[BH]%12%17%18[BH]9%13%19[BH]16%10[BH]2%17%19[CH]3%15%18[BH]47%14%16)C(O)=O)C(O)=O
InChi:	InChI=1S/C15H31B10N3O8/c29-9(30)5-4-8(11(33)34)28-13(36)27-7(10(31)32)3-1-2-6-26-12(35)15-14-16(15)18(14)19(14)17(14,15)21(15)20(15,16)22(16,18)24(18,19)23(17,19,21)25(20,21,22)24/h7-8,14,16-25H,1-6H2,(H,26,35)(H,29,30)(H,31,32)(H,33,34)(H2,27,28,36)/t7-,8-/m0/s1
Synonyms:	DCCBL
Definition date:	2014-04-08
Last modified:	2021-03-01
Release date:	2015-02-18

DH7

DH7
Name:	(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene
Formula:	C30 H46
SMILES:	C(=C(C)CCC=C(/C)CCC=C(/C)C)=CC=C=C(/C)CC/C=C(C)CCC=C(/C)C
InChi:	InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+
Synonyms:	dehydrosqualene
Definition date:	2010-07-07
Last modified:	2021-03-01
Identifier:	(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene

DIR

DIR
Name:	3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE
Formula:	C4 H10 N4 O3
SMILES:	O=C(O)C(N)CNC(=NO)N
InChi:	InChI=1S/C4H10N4O3/c5-2(3(9)10)1-7-4(6)8-11/h2,11H,1,5H2,(H,9,10)(H3,6,7,8)/t2-/m0/s1
Synonyms:	DINOR-N(OMEGA)-HYDROXY-L-ARGININE
Definition date:	2004-05-20
Last modified:	2021-03-01
Identifier:	3-(N''-hydroxycarbamimidamido)-L-alanine

DIZ

DIZ
Name:	(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID
Formula:	C23 H15 Cl2 I N2 O4
SMILES:	Clc1ccc(cc1)C(C(=O)O)N3C(=O)c4cc(I)ccc4NC(=O)C3c2ccc(Cl)cc2
InChi:	InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1
Synonyms:	DI-CHLORO-BENZO-DIAZEPINE
Definition date:	2004-05-10
Last modified:	2021-03-01
Identifier:	(2S)-(4-chlorophenyl)[(3S)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]ethanoic acid

DJO

DJO
Name:	(phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
Formula:	C17 H17 N O3
SMILES:	OC[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3
InChi:	InChI=1S/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2/t15-/m0/s1
Synonyms:	Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate
Definition date:	2019-08-02
Last modified:	2021-03-01
Release date:	2020-03-25
Identifier:	(phenylmethyl) (2~{S})-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate

DJU

DJU
Name:	N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
Formula:	C18 H20 N2 O
SMILES:	CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChi:	InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
Synonyms:	5-Benzyloxygramine
Definition date:	2019-08-02
Last modified:	2021-03-01
Release date:	2020-03-25
Identifier:	~{N},~{N}-dimethyl-1-(5-phenylmethoxy-1~{H}-indol-3-yl)methanamine

DJX

DJX
Name:	N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
Formula:	C19 H23 N7 S
SMILES:	CCN1CCN(CC1)c2cc(Nc3sc(cn3)c4ccncc4)nc(C)n2
InChi:	InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
Synonyms:	6-(4-ethylpiperazin-1-yl)-2-methyl-N-(5-(pyridin-4-yl)thiazol-2-yl)pyrimidin-4-amine
Definition date:	2019-08-02
Last modified:	2021-03-01
Release date:	2019-11-27
Identifier:	~{N}-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine

DKW

DKW
Name:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide
Formula:	C13 H14 N6 O4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC#C
InChi:	InChI=1S/C13H14N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h1,4-5,7-9,13,20-21H,3H2,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1
Synonyms:	6-CARBOXYMETHYLURACIL
Definition date:	2018-01-23
Last modified:	2021-03-01
Release date:	2019-02-06
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide

DL5

DL5
Name:	Spiro(2,4,6-trinitrobenzene[1,2a]-O2',O3'-methylene-adenosine (beta,gamma-methylene)triphosphate
Formula:	C17 H19 N8 O18 P3
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH]4O[C]5(O[CH]34)C(=C[C](C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([O-])=O
InChi:	InChI=1S/C17H19N8O18P3/c18-14-11-15(20-4-19-14)22(5-21-11)16-13-12(8(40-16)3-39-46(37,38)43-45(35,36)6-44(32,33)34)41-17(42-13)9(24(28)29)1-7(23(26)27)2-10(17)25(30)31/h1-2,4-5,8,12-13,16H,3,6H2,(H,26,27)(H,35,36)(H,37,38)(H2,18,19,20)(H2,32,33,34)/t8-,12-,13-,16-/m1/s1
Synonyms:	TNP-AMPPCP
Definition date:	2015-06-03
Last modified:	2021-03-01
Release date:	2016-04-13
Identifier:	(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3',5'-dinitro-N-oxidanyl-6-[[oxidanyl-[oxidanyl(phosphonomethyl)phosphoryl]oxy-phosphoryl]oxymethyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide

DLM

DLM
Name:	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
Formula:	C15 H11 O7
SMILES:	Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O
InChi:	InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1
Synonyms:	Delphinidin
Definition date:	2014-10-15
Last modified:	2021-03-01
Release date:	2015-01-21
Identifier:	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium

DLP

DLP
Name:	1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:	C44 H80 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCC=C/CC=C/CCCCC
InChi:	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
Synonyms:	DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE
Definition date:	2002-05-13
Last modified:	2021-03-01
Identifier:	(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

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