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L69

L69
Name:	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid
Formula:	C8 H12 O8 P2
SMILES:	CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O
InChi:	InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
Synonyms:	L-690330
Definition date:	2018-05-16
Last modified:	2021-03-01
Release date:	2018-10-17
Identifier:	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid

D4F

D4F
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
Formula:	C21 H20 N7 O9 P S2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CSC(=N4)c5sc6cc(O)ccc6n5)[CH](O)[CH]3O
InChi:	InChI=1S/C21H20N7O9PS2/c22-16-13-17(24-6-23-16)28(7-25-13)20-15(31)14(30)11(36-20)4-35-38(33,34)37-21(32)10-5-39-18(27-10)19-26-9-2-1-8(29)3-12(9)40-19/h1-3,6-7,10-11,14-15,20,29-31H,4-5H2,(H,33,34)(H2,22,23,24)/t10-,11-,14-,15-,20-/m1/s1
Synonyms:	Luciferyl adenylate
Definition date:	2019-06-25
Last modified:	2021-03-01
Release date:	2020-05-27
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4~{S})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate

D50

D50
Name:	N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine
Formula:	C23 H30 N2 O5
SMILES:	O=C(O)C(NC(=O)C(O)C(N)Cc2ccc(OCc1ccccc1)cc2)CC(C)C
InChi:	InChI=1S/C23H30N2O5/c1-15(2)12-20(23(28)29)25-22(27)21(26)19(24)13-16-8-10-18(11-9-16)30-14-17-6-4-3-5-7-17/h3-11,15,19-21,26H,12-14,24H2,1-2H3,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1
Synonyms:	Bestatin derivative 7d
Definition date:	2011-01-11
Last modified:	2021-03-01
Identifier:	N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine

L7O

L7O
Name:	N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide
Formula:	C22 H24 N6 O2
SMILES:	O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc3)N4CCCCC4
InChi:	InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)
Synonyms:	3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one
Definition date:	2011-05-26
Last modified:	2021-03-01
Identifier:	N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide

D65

D65
Name:	2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:	C14 H12 F7 N5 S
SMILES:	FS(F)(F)(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C
InChi:	InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3
Synonyms:	DSM265
Definition date:	2014-12-09
Last modified:	2021-03-01
Release date:	2015-07-29
Identifier:	2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D66

D66
Name:	N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine
Formula:	C17 H26 N2 O5
SMILES:	O=C(O)C(NC(=O)C(O)C(N)Cc1ccc(OC)cc1)CC(C)C
InChi:	InChI=1S/C17H26N2O5/c1-10(2)8-14(17(22)23)19-16(21)15(20)13(18)9-11-4-6-12(24-3)7-5-11/h4-7,10,13-15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1
Synonyms:	Bestatin-derivative 7c
Definition date:	2011-01-11
Last modified:	2021-03-01
Identifier:	N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine

L9R

L9R
Name:	(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Formula:	C44 H86 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C44H86NO8P/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/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m0/s1
Synonyms:	1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
Definition date:	2010-03-19
Last modified:	2021-03-01
Identifier:	(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

D7P

D7P
Name:	D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE
Formula:	C15 H25 N7 O4
SMILES:	O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O
InChi:	InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1
Synonyms:	D-PHENYLALANINE-D-NITROARGININE AMIDE
Definition date:	2003-12-18
Last modified:	2021-03-01
Identifier:	D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide

D7S

D7S
Name:	(5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid
Formula:	C27 H42 O3
SMILES:	O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C
InChi:	InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1
Synonyms:	(25S)-delta7-dafachronic acid
Definition date:	2011-11-18
Last modified:	2021-03-01
Identifier:	(5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid

NPX

NPX
Name:	(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
Formula:	C14 H14 O3
SMILES:	O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
InChi:	InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1
Synonyms:	(R)-Naproxen
Definition date:	2007-10-04
Last modified:	2021-03-01
Identifier:	(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid

NRN

NRN
Name:	(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
Formula:	C10 H13 N5 O3
SMILES:	Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O
InChi:	InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
Synonyms:	noraristeromycin
Definition date:	2015-07-31
Last modified:	2021-03-01
Release date:	2016-07-27
Identifier:	(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol

NSK

NSK
Name:	N-SUCCINYL LYSINE
Formula:	C10 H18 N2 O5
SMILES:	O=C(NC(C(=O)O)CCCCN)CCC(=O)O
InChi:	InChI=1S/C10H18N2O5/c11-6-2-1-3-7(10(16)17)12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
Synonyms:	N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE
Definition date:	2007-04-05
Last modified:	2021-03-01
Identifier:	N~2~-(3-carboxypropanoyl)-L-lysine

NSL

NSL
Name:	4-Hydroxyazobenzene
Formula:	C12 H10 N2 O
SMILES:	c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:	InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
Synonyms:	4-[(E)-phenyldiazenyl]phenol
Definition date:	2019-04-15
Last modified:	2021-03-01
Release date:	2019-07-24
Identifier:	4-[(E)-phenyldiazenyl]phenol

DB7

DB7
Name:	dibutyl benzene-1,2-dicarboxylate
Formula:	C16 H22 O4
SMILES:	O=C(OCCCC)c1ccccc1C(=O)OCCCC
InChi:	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
Synonyms:	Dibutyl phthalate
Definition date:	2012-08-02
Last modified:	2021-03-01
Release date:	2012-11-02
Identifier:	dibutyl benzene-1,2-dicarboxylate

1IQ

1IQ
Name:	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID
Formula:	C17 H17 N3 O3
SMILES:	O=C(O)c2c(nc1ccccc1c2)C3=NC(C(=O)N3)(C(C)C)C
InChi:	InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1
Synonyms:	IMAZAQUIN
Definition date:	2005-04-04
Last modified:	2021-03-01
Identifier:	2-[(4R)-4-methyl-4-(1-methylethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid

DBN

DBN
Name:	6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE
Formula:	C23 H20 N6 S
SMILES:	n3c2c(cc(C1=NCCN1)cc2)nc3c4sc(cc4)c6ccc(C5=NCCN5)cc6
InChi:	InChI=1S/C23H20N6S/c1-3-15(21-24-9-10-25-21)4-2-14(1)19-7-8-20(30-19)23-28-17-6-5-16(13-18(17)29-23)22-26-11-12-27-22/h1-8,13H,9-12H2,(H,24,25)(H,26,27)(H,28,29)
Synonyms:	DB819
Definition date:	2005-10-06
Last modified:	2021-03-01
Identifier:	6-(4,5-dihydro-1H-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl}-1H-benzimidazole

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

1KN

1KN
Name:	(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
Formula:	C12 H17 N O3
SMILES:	OC2C(c1ccc(OC)cc1)NC(C)C2O
InChi:	InChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10-,11+,12-/m0/s1
Synonyms:	N-desmethyl-4-epi-(+)-Codonopsinine
Definition date:	2013-03-08
Last modified:	2021-03-01
Release date:	2013-09-18
Identifier:	(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol

NUT

NUT
Name:	4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one
Formula:	C30 H30 Cl2 N4 O4
SMILES:	O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5
InChi:	InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
Synonyms:	Nutlin 3a
Definition date:	2012-10-12
Last modified:	2021-03-01
Release date:	2013-04-24
Identifier:	4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one

NUZ

NUZ
Name:	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
Formula:	C21 H19 Cl N4 O4
SMILES:	[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4
InChi:	InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
Synonyms:	nucleozin
Definition date:	2014-12-16
Last modified:	2021-03-01
Release date:	2015-12-16
Identifier:	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

1KX

1KX
Name:	{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
Formula:	C14 H18 N6 O
SMILES:	n1c(c2ncn(c2nc1N)C3C=CC(CO)C3)NC4CC4
InChi:	InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
Synonyms:	Abacavir
Definition date:	2011-12-06
Last modified:	2021-03-01
Identifier:	{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol

NVE

NVE
Name:	diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
Formula:	C27 H33 N4 O5 P
SMILES:	O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC
InChi:	InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3
Synonyms:	nevirapine phosphonate analogue
Definition date:	2012-12-03
Last modified:	2021-03-01
Release date:	2013-02-15
Identifier:	diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate

1LD

1LD
Name:	5-fluorocytosine
Formula:	C4 H4 F N3 O
SMILES:	FC1=CNC(=O)N=C1N
InChi:	InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
Synonyms:	4-amino-5-fluoropyrimidin-2(1H)-one
Definition date:	2013-03-18
Last modified:	2021-03-01
Release date:	2014-03-19
Identifier:	4-amino-5-fluoropyrimidin-2(1H)-one

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