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LPP

LPP
Name:	2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE
Formula:	C35 H69 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O
InChi:	InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1
Synonyms:	1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE
Definition date:	2000-12-14
Last modified:	2020-06-17
Identifier:	(2R)-3-(phosphonooxy)propane-1,2-diyl dihexadecanoate

LPR

LPR
Name:	[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE
Formula:	C21 H31 N3 O5
SMILES:	O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCCN)CCC2
InChi:	InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Synonyms:	LISINOPRIL
Definition date:	2002-11-25
Last modified:	2020-06-17
Identifier:	N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline

5KY

5KY
Name:	2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid
Formula:	C16 H14 F3 N3 O3
SMILES:	c1(c(cc(cc1)C)NC(=O)Nc2ccc(C(F)(F)F)cc2N)C(O)=O
InChi:	InChI=1S/C16H14F3N3O3/c1-8-2-4-10(14(23)24)13(6-8)22-15(25)21-12-5-3-9(7-11(12)20)16(17,18)19/h2-7H,20H2,1H3,(H,23,24)(H2,21,22,25)
Synonyms:	BF174
Definition date:	2015-10-15
Last modified:	2020-06-17
Release date:	2016-10-26
Identifier:	2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid

5L8

5L8
Name:	(2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Formula:	C14 H15 Cl2 N3 O
SMILES:	O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3
InChi:	InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m1/s1
Synonyms:	R-desthio-prothioconazole
Definition date:	2015-10-19
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	(2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

5LN

5LN
Name:	chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium
Formula:	C2 H8 Cl O4 Ru
SMILES:	OC[Ru](O)(O)(Cl)CO
InChi:	InChI=1S/2CH3O.ClH.2H2O.Ru/c2*1-2
Synonyms:	Ru(CO)2Cl(OH2)2
Definition date:	2015-10-20
Last modified:	2020-06-17
Release date:	2016-10-26
Identifier:	chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium

LQT

LQT
Name:	2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide
Formula:	C15 H25 N5 O2
SMILES:	CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
InChi:	InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
Synonyms:	KDOAM25A
Definition date:	2015-06-02
Last modified:	2020-06-17
Release date:	2015-07-07
Identifier:	2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide

5LU

5LU
Name:	Prochloraz
Formula:	C15 H16 Cl3 N3 O2
SMILES:	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
InChi:	InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
Synonyms:	~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide

5LW

5LW
Name:	1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Formula:	C19 H17 Cl2 N3 O3
SMILES:	C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl
InChi:	InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m0/s1
Synonyms:	Difenoconazole
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

5LX

5LX
Name:	1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Formula:	C19 H17 Cl2 N3 O3
SMILES:	C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl
InChi:	InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m0/s1
Synonyms:	Difenoconazole
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

5MD

5MD
Name:	2'-deoxy-1-methyl-pseudouridine
Formula:	C10 H14 N2 O5
SMILES:	O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C
InChi:	InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
Synonyms:	5-METHYL-2'-DEOXYPSEUDOURIDINE
Definition date:	2000-07-26
Last modified:	2020-06-17
Identifier:	(1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol

4UO

4UO
Name:	2,3-dihydroxanthosine
Formula:	C10 H12 N4 O6
SMILES:	O=C1NC(=O)Nc2c1ncn2C3C(C(C(O3)CO)O)O
InChi:	InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
Synonyms:	Xanthosine
Definition date:	2015-06-01
Last modified:	2020-06-17
Release date:	2015-07-01
Identifier:	2,3-dihydroxanthosine

LSM

LSM
Name:	dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside
Formula:	C24 H46 O10 Se
SMILES:	O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
Synonyms:	DODECYL-BETA-D-SELENOMALTOSIDE
Definition date:	2011-08-09
Last modified:	2020-06-17
Identifier:	dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside

4V6

4V6
Name:	(3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
Formula:	C10 H13 Cl N2 O2 S
SMILES:	c2c1S(N(C(C)N(c1ccc2Cl)C)C)(=O)=O
InChi:	InChI=1S/C10H13ClN2O2S/c1-7-12(2)9-5-4-8(11)6-10(9)16(14,15)13(7)3/h4-7H,1-3H3/t7-/m1/s1
Synonyms:	BPAM-321
Definition date:	2015-06-04
Last modified:	2020-06-17
Release date:	2016-02-17
Identifier:	(3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide

4VO

4VO
Name:	(2S,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-m ethanonaphtho[2,1-g]indol-10-ol
Formula:	C28 H32 N2 O2
SMILES:	C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC
InChi:	InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23+,24+,25+,26-,27+,28+/m1/s1
Synonyms:	BU72
Definition date:	2015-06-06
Last modified:	2020-06-17
Release date:	2015-08-05
Identifier:	(2S,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol

LTT

LTT
Name:	4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE
Formula:	C8 H11 N3 O4
SMILES:	O=C1N=C(N)C=CN1C2OC(OC2)CO
InChi:	InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
Synonyms:	(-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE
Definition date:	2006-10-26
Last modified:	2020-06-17
Identifier:	4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1H)-one

LU2

LU2
Name:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Formula:	C15 H10 O6
SMILES:	O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O
InChi:	InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
Synonyms:	Luteolin
Definition date:	2011-07-20
Last modified:	2020-06-17
Identifier:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

LU7

LU7
Name:	N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide
Formula:	C29 H52 N10 O6
SMILES:	Oc1cc(O)ccc1CC(=O)NC(CC(N)=O)C(=O)NCCCCCNCCCNCCCNC(=O)C(N)CCCNC(=N)N
InChi:	InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1
Synonyms:	Argiotoxin 636
Definition date:	2019-03-14
Last modified:	2020-06-17
Release date:	2019-03-20
Identifier:	N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide

4WW

4WW
Name:	bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~] diiron(2+)
Formula:	C8 H6 Fe2 N2 O3 S2
SMILES:	O=C1[Fe]\|2(S\|3CCCS\|2[Fe]1\|3(C#N)C#[O+])(C#N)C#[O+]
InChi:	InChI=1S/C3H6S2.2CN.3CO.2Fe/c4-2-1-3-5
Synonyms:	propane-dithiolato-bridged [2Fe2S] cluster
Definition date:	2015-06-15
Last modified:	2020-06-17
Release date:	2015-11-11

4WX

4WX
Name:	bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappaS:2kappaS)diiron(2+)
Formula:	C7 H4 Fe2 N2 O3 S3
SMILES:	O=C1[Fe]\|2(S\|3CSCS\|2[Fe]1\|3(C#N)C#[O+])(C#N)C#[O+]
InChi:	InChI=1S/C2H4S3.2CN.3CO.2Fe/c3-1-5-2-4
Synonyms:	sulfuro-dimethyl-dithiolato-bridged [2Fe2S] cluster
Definition date:	2015-06-15
Last modified:	2020-06-17
Release date:	2015-11-11

LUI

LUI
Name:	2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide
Formula:	C22 H25 N3 O3
SMILES:	O=C(N)COc3ccc1c(C(=C(N(C1=O)CC(C)C)CN)c2ccccc2)c3
InChi:	InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
Synonyms:	TAK-285
Definition date:	2010-09-02
Last modified:	2020-06-17
Identifier:	2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide

LUJ

LUJ
Name:	(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside
Formula:	C26 H51 N5 O13
SMILES:	CCCC1C(CO)OC(C(C1O)N)OC2C(N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O)C4N)O)N
InChi:	InChI=1S/C26H51N5O13/c1-2-3-8-12(6-32)40-24(14(30)16(8)34)42-21-10(29)4-9(28)17(35)23(21)44-26-20(38)22(13(7-33)41-26)43-25-15(31)19(37)18(36)11(5-27)39-25/h8-26,32-38H,2-7,27-31H2,1H3/t8-,9-,10+,11+,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
Synonyms:	propylamycin
Definition date:	2019-03-14
Last modified:	2020-06-17
Release date:	2019-04-17
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside

LUQ

LUQ
Name:	N-(2-acetamido)-2-aminoethanesulfonic acid
Formula:	C4 H10 N2 O4 S
SMILES:	NC(=O)CNCC[S](O)(=O)=O
InChi:	InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)
Synonyms:	N-(Carbamoylmethyl)taurine
Definition date:	2019-09-09
Last modified:	2020-06-17
Release date:	2019-12-18
Identifier:	2-[(2-azanyl-2-oxidanylidene-ethyl)amino]ethanesulfonic acid

4XW

4XW
Name:	(5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid
Formula:	C20 H36 O2
SMILES:	C1(C=CCC(C1CCC(CCCC(C)CC(=O)O)C)C)(C)C
InChi:	InChI=1S/C20H36O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h7,13,15-18H,6,8-12,14H2,1-5H3,(H,21,22)/t15-,16-,17+,18+/m1/s1
Synonyms:	9-cis-13,14-dihydroretinoic acid
Definition date:	2015-06-18
Last modified:	2020-06-17
Release date:	2016-03-30
Identifier:	(5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid

4YP

4YP
Name:	2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
Formula:	C18 H25 N O3
SMILES:	CC(=[C@H]CCC(=[C@H]CC=1C(C(=C(C(C=1C)=O)N)OC)=O)C)C
InChi:	InChI=1S/C18H25NO3/c1-11(2)7-6-8-12(3)9-10-14-13(4)16(20)15(19)18(22-5)17(14)21/h7,9H,6,8,10,19H2,1-5H3/b12-9+
Synonyms:	rhodoquinone-2
Definition date:	2015-06-26
Last modified:	2020-06-17
Release date:	2015-08-05
Identifier:	2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione

4Z5

4Z5
Name:	1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea
Formula:	C23 H29 F N6 O
SMILES:	O=C(Nc1cc(c(cc1F)C)c2c(nc3c(c2)cnc(n3)NC)C)NCCC(C)(C)C
InChi:	InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
Synonyms:	LY3009120
Definition date:	2015-06-29
Last modified:	2020-06-17
Release date:	2015-07-15
Identifier:	1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea

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