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D01

D01
Name:	2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE
Formula:	C20 H17 Cl N4 O4 S2
SMILES:	Clc1cc2cc(nc2cc1)S(=O)(=O)N5CCN(C(=O)c4sc3ccc[n+]([O-])c3c4)CC5
InChi:	InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2
Synonyms:	2-[[4-[(5-CHLOROINDOL-2-YL)SULFONYL]PIPERAZIN-1-YL] CARBONYL]THIENO[3,2-B]PYRIDINE N-OXIDE
Definition date:	2005-08-26
Last modified:	2020-06-17
Identifier:	2-({4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide

L24

L24
Name:	[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID
Formula:	C21 H25 N5 O6
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)CCC3Cc2c(nc(nc2NC3)N)O)CCC(=O)O
InChi:	InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1
Synonyms:	LY249543
Definition date:	1999-12-14
Last modified:	2020-06-17
Identifier:	N-[(4-{2-[(6S)-2-amino-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)carbonyl]-L-glutamic acid

L27

L27
Name:	{1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Formula:	C35 H37 N3 O6
SMILES:	O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6
InChi:	InChI=1S/C35H37N3O6/c39-31(30(17-23-9-3-1-4-10-23)38-34(42)44-25-15-16-43-22-25)19-35(18-24-11-5-2-6-12-24)32(40)29(21-37-35)28-20-36-33(41)27-14-8-7-13-26(27)28/h1-14,21,25,28,30-31,37,39H,15-20,22H2,(H,36,41)(H,38,42)/t25-,28+,30-,31-,35-/m0/s1
Synonyms:	LDC271 INHIBITOR
Definition date:	2003-01-22
Last modified:	2020-06-17
Identifier:	(3S)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-3-oxo-4-[(4R)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate

L2H

L2H
Name:	(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione
Formula:	C32 H34 N10 O8
SMILES:	O=C5NC(c1nc(c(o1)C)c2oc(c(n2)c3occ(n3)C(=O)NC(c7nc(c4nc(co4)c6nc5co6)co7)CCCCN)C)CCCCN
InChi:	InChI=1S/C32H34N10O8/c1-15-23-31-38-20(12-48-31)26(44)35-17(7-3-5-9-33)27-39-22(13-46-27)29-40-21(14-47-29)28-37-19(11-45-28)25(43)36-18(8-4-6-10-34)30-41-24(16(2)49-30)32(42-23)50-15/h11-14,17-18H,3-10,33-34H2,1-2H3,(H,35,44)(H,36,43)/t17-,18-/m0/s1
Synonyms:	Telomestatin derivative
Definition date:	2013-08-12
Last modified:	2020-06-17
Release date:	2013-08-28
Identifier:	(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione

D16

D16
Name:	TOMUDEX
Formula:	C21 H22 N4 O6 S
SMILES:	O=C(c3sc(N(C)Cc2ccc1NC(=NC(=O)c1c2)C)cc3)NC(C(=O)O)CCC(=O)O
InChi:	InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
Synonyms:	ZD1694
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)carbonyl]-L-glutamic acid

D18

D18
Name:	2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN
Formula:	C24 H32 N4 O
SMILES:	o1c(ccc1c2ccc(cc2)C(N)NC(C)C)c3ccc(cc3)C(N)NC(C)C
InChi:	InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24+
Synonyms:	FURAMIDINE DERIVATIVE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis[N-(1-methylethyl)methanediamine]

L34

L34
Name:	4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID
Formula:	C20 H21 N7 O7
SMILES:	O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O)N)NCC2C3)cc4)CCC(=O)O
InChi:	InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
Synonyms:	LY345899
Definition date:	1999-12-15
Last modified:	2020-06-17
Identifier:	N-({4-[(6aR)-3-amino-1-hydroxy-9-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid

D1H

D1H
Name:	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
Formula:	C16 H18 N8 O4
SMILES:	O=C2c1n(cnc1N(C(=O)N2CCN4C(=O)N(c3ncn(c3C4=O)C)C)C)C
InChi:	InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3
Synonyms:	1-(2-(THEOBROMINE-1-YL)ETHYL)-BROMINE
Definition date:	2006-06-08
Last modified:	2020-06-17
Identifier:	1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)

D1N

D1N
Name:	NAPHTHALENE-1,2-DIOL
Formula:	C10 H8 O2
SMILES:	Oc1c2c(ccc1O)cccc2
InChi:	InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
Synonyms:	1,2-DIHYDROXYNAPHTHALENE
Definition date:	2007-03-15
Last modified:	2020-06-17
Identifier:	naphthalene-1,2-diol

D22

D22
Name:	N-octyloctan-1-amine
Formula:	C16 H35 N
SMILES:	N(CCCCCCCC)CCCCCCCC
InChi:	InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3
Synonyms:	Dioctylamine
Definition date:	2009-05-14
Last modified:	2020-06-17
Identifier:	N-octyloctan-1-amine

D2A

D2A
Name:	2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE
Formula:	C21 H18 N6
SMILES:	[N@H]=C(N)c1ccc(cc1)c4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4
InChi:	InChI=1S/C21H18N6/c22-19(23)14-5-1-12(2-6-14)13-3-7-15(8-4-13)21-26-17-10-9-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)
Synonyms:	DB921
Definition date:	2005-09-16
Last modified:	2020-06-17
Identifier:	2-(4'-carbamimidoylbiphenyl-4-yl)-1H-benzimidazole-6-carboximidamide

L4A

L4A
Name:	2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid
Formula:	C8 H11 N O5
SMILES:	c1(oc(c(n1)C(=O)O)CCO)CCO
InChi:	InChI=1S/C8H11NO5/c10-3-1-5-7(8(12)13)9-6(14-5)2-4-11/h10-11H,1-4H2,(H,12,13)
Synonyms:	Clavulanic Acid, opened form
Definition date:	2019-02-06
Last modified:	2020-06-17
Release date:	2019-12-11
Identifier:	2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid

L4P

L4P
Name:	3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL
Formula:	C46 H95 O8 P
SMILES:	O=P(O)(OCC(O)CO)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChi:	InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40?,41-,42?,43-,44-,45-,46+/m1/s1
Synonyms:	2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL
Definition date:	1999-09-22
Last modified:	2020-06-17
Identifier:	(2R)-2,3-dihydroxypropyl (2S)-2-{[(3R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl hydrogen (R)-phosphate

D2S

D2S
Name:	4,4'-disulfanediyldibenzene-1,3-diol
Formula:	C12 H10 O4 S2
SMILES:	S(Sc1ccc(O)cc1O)c2ccc(O)cc2O
InChi:	InChI=1S/C12H10O4S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6,13-16H
Synonyms:	4-(2,4-dihydroxyphenyl)disulfanylbenzene-1,3-diol
Definition date:	2009-08-24
Last modified:	2020-06-17
Identifier:	4,4'-disulfanediyldibenzene-1,3-diol

D31

D31
Name:	2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE
Formula:	C24 H31 N5 O2
SMILES:	O=C(Nc3cccc2c1nnc(c1C(=O)c23)C4CCCCC4)CN5CCC(CC5)CN
InChi:	InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)
Synonyms:	DIN-101312
Definition date:	2005-09-28
Last modified:	2020-06-17
Identifier:	2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide

D3A

D3A
Name:	(1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid
Formula:	C29 H31 Cl N2 O6
SMILES:	O=C(O)CC5CCN(C(=O)CC3OC(c1cc(Cl)ccc1n2cccc23)c4cccc(OC)c4OC)CC5
InChi:	InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1
Synonyms:	2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acet ic acid
Definition date:	2012-01-11
Last modified:	2020-06-17
Release date:	2012-12-14
Identifier:	(1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid

D3M

D3M
Name:	3,6-dichloro-2-methoxybenzoic acid
Formula:	C8 H6 Cl2 O3
SMILES:	Clc1ccc(Cl)c(c1OC)C(=O)O
InChi:	InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)
Synonyms:	Dicamba
Definition date:	2009-02-20
Last modified:	2020-06-17
Identifier:	3,6-dichloro-2-methoxybenzoic acid

D4V

D4V
Name:	3-methylpyridin-2-ol
Formula:	C6 H7 N O
SMILES:	c1nc(O)c(cc1)C
InChi:	InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
Synonyms:	(R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER
Definition date:	2017-10-18
Last modified:	2020-06-17
Release date:	2018-10-17
Identifier:	3-methylpyridin-2-ol

L7A

L7A
Name:	N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
Formula:	C17 H13 N3 O2
SMILES:	O=C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3
InChi:	InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21)
Synonyms:	3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one
Definition date:	2011-05-26
Last modified:	2020-06-17
Identifier:	N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide

D54

D54
Name:	4-deoxy-L-threo-hex-5-ulosuronic acid
Formula:	C6 H8 O6
SMILES:	O=CC(O)C(O)CC(=O)C(=O)O
InChi:	InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1
Synonyms:	5-keto-4-deoxy-D-Galacturonate
Definition date:	2011-03-23
Last modified:	2020-06-17
Identifier:	4-deoxy-L-threo-hex-5-ulosuronic acid

D5G

D5G
Name:	(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE
Formula:	C17 H25 N3 O3 S
SMILES:	O=C(NC1COC(O)C1)C(NC(=S)Nc2ccccc2)CC(C)C
InChi:	InChI=1S/C17H25N3O3S/c1-11(2)8-14(16(22)18-13-9-15(21)23-10-13)20-17(24)19-12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,18,22)(H2,19,20,24)/t13-,14-,15-/m0/s1
Synonyms:	SNJ-1715
Definition date:	2006-03-08
Last modified:	2020-06-17
Identifier:	N-[(3S,5S)-5-hydroxytetrahydrofuran-3-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide

D5H

D5H
Name:	2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
Formula:	C20 H18 F N O4
SMILES:	COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2
InChi:	InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)
Synonyms:	Vidofludimus, 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
Definition date:	2017-08-01
Last modified:	2020-06-17
Release date:	2018-10-31
Identifier:	2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

D5T

D5T
Name:	1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione
Formula:	C30 H38 N4 O6
SMILES:	COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CC(C)(C)CC4=O)C(=O)[CH]5CC=CC[CH]25
InChi:	InChI=1S/C30H38N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h5-6,9-10,15,20-22H,7-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1
Synonyms:	NPD-226
Definition date:	2017-12-25
Last modified:	2020-06-17
Release date:	2019-04-10
Identifier:	1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione

L86

L86
Name:	(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENI COSINE-3,24-DIONE
Formula:	C27 H33 Cl N6 O2
SMILES:	O=C3NCc1ccccc1CCNCCCNCC(NC2=NC=C(Cl)N(C2=O)C3)Cc4ccccc4
InChi:	InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-10-5-4-9-21(22)11-14-29-12-6-13-30-17-23(33-26)15-20-7-2-1-3-8-20/h1-5,7-10,18,23,29-30H,6,11-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1
Synonyms:	COMPOUND 31
Definition date:	2003-01-21
Last modified:	2020-06-17
Identifier:	(11S)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacyclohenicosine-3,24(4H)-dione

L8P

L8P
Name:	({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
Formula:	C8 H14 N3 O6 P
SMILES:	O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO
InChi:	InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
Synonyms:	Cidofovir
Definition date:	2011-02-01
Last modified:	2020-06-17
Identifier:	({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid

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