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7N8

7N8
Name:	4-Borono-L-phenylalanine
Formula:	C9 H12 B N O4
SMILES:	N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
InChi:	InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-11-24
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid

MRF

MRF
Name:	2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H27 Cl2 N3 O3
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Oc3ccc(Cl)cc3
InChi:	InChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26)
Definition date:	2022-08-04
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide

MRG

MRG
Name:	N2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
Formula:	C13 H20 N5 O7 P S
SMILES:	O=C1c2ncn(c2N=C(NCCCS)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1S/C13H20N5O7PS/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13(17-12(10)20)14-2-1-3-27/h6-9,19,27H,1-5H2,(H2,21,22,23)(H2,14,16,17,20)/t7-,8+,9+/m0/s1
Definition date:	2002-12-09
Last modified:	2024-09-27
Identifier:	2'-deoxy-N-(3-sulfanylpropyl)guanosine 5'-(dihydrogen phosphate)

7ND

7ND
Name:	(3-bromo-5-phenoxyphenyl)boronic acid
Formula:	C12 H10 B Br O3
SMILES:	Brc1cc(cc(c1)B(O)O)Oc2ccccc2
InChi:	InChI=1S/C12H10BBrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8,15-16H
Definition date:	2016-11-21
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	(3-bromo-5-phenoxyphenyl)boronic acid

MRJ

MRJ
Name:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C23 H46 N3 O8 P
SMILES:	OP(O)(=O)OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCC)=O)C
InChi:	InChI=1S/C23H46N3O8P/c1-4-5-6-7-8-9-10-11-12-13-19(27)24-16-17-25-20(28)14-15-26-22(30)21(29)23(2,3)18-34-35(31,32)33/h21,29H,4-18H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H2,31,32,33)/t21-/m0/s1
Definition date:	2019-04-15
Last modified:	2024-09-27
Release date:	2020-04-15
Identifier:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

7NF

7NF
Name:	2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
Formula:	C7 H7 N O4 S
SMILES:	CCOC(=O)c1scc(n1)C(O)=O
InChi:	InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10)
Definition date:	2016-11-27
Last modified:	2024-09-27
Release date:	2017-12-20
Identifier:	2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid

7NJ

7NJ
Name:	(3-bromo-4-methylphenyl)boronic acid
Formula:	C7 H8 B Br O2
SMILES:	Brc1c(ccc(c1)B(O)O)C
InChi:	InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
Definition date:	2016-11-21
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	(3-bromo-4-methylphenyl)boronic acid

7NM

7NM
Name:	[3-(benzyloxy)-4-methylphenyl]borinic acid
Formula:	C14 H15 B O2
SMILES:	Cc2c(OCc1ccccc1)cc(cc2)BO
InChi:	InChI=1S/C14H15BO2/c1-11-7-8-13(15-16)9-14(11)17-10-12-5-3-2-4-6-12/h2-9,15-16H,10H2,1H3
Definition date:	2016-11-21
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	[3-(benzyloxy)-4-methylphenyl]borinic acid

7NP

7NP
Name:	(2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one
Formula:	C12 H14 O2
SMILES:	O=C2c1c(ccc(OC)c1)CCC2C
InChi:	InChI=1S/C12H14O2/c1-8-3-4-9-5-6-10(14-2)7-11(9)12(8)13/h5-8H,3-4H2,1-2H3/t8-/m0/s1
Synonyms:	Bound form of 7-METHOXY-2-(PIPERIDIN-1-YLMETHYL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE HYDROCHLORDIDE
Definition date:	2014-06-09
Last modified:	2024-09-27
Release date:	2014-07-23
Identifier:	(2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one

7NQ

7NQ
Name:	~{N}-(4-ethoxyquinazolin-2-yl)propanamide
Formula:	C13 H15 N3 O2
SMILES:	CCOc1nc(NC(=O)CC)nc2ccccc12
InChi:	InChI=1S/C13H15N3O2/c1-3-11(17)15-13-14-10-8-6-5-7-9(10)12(16-13)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,15,16,17)
Definition date:	2016-11-28
Last modified:	2024-09-27
Release date:	2017-11-01
Identifier:	~{N}-(4-ethoxyquinazolin-2-yl)propanamide

7NS

7NS
Name:	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
Formula:	C10 H13 B Br N O
SMILES:	Brc1cc(BO)cc(c1)N2CCCC2
InChi:	InChI=1S/C10H13BBrNO/c12-9-5-8(11-14)6-10(7-9)13-3-1-2-4-13/h5-7,11,14H,1-4H2
Definition date:	2016-11-21
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid

7NT

7NT
Name:	~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide
Formula:	C13 H16 N4 O2 S
SMILES:	CCC(=O)Nc1nc2sccc2c(n1)N3CCOCC3
InChi:	InChI=1S/C13H16N4O2S/c1-2-10(18)14-13-15-11(17-4-6-19-7-5-17)9-3-8-20-12(9)16-13/h3,8H,2,4-7H2,1H3,(H,14,15,16,18)
Definition date:	2016-11-28
Last modified:	2024-09-27
Release date:	2017-11-01
Identifier:	~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide

7NW

7NW
Name:	2-methyl-1,3-thiazole-4-carboxylic acid
Formula:	C5 H5 N O2 S
SMILES:	Cc1scc(n1)C(O)=O
InChi:	InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
Definition date:	2016-11-29
Last modified:	2024-09-27
Release date:	2017-12-20
Identifier:	2-methyl-1,3-thiazole-4-carboxylic acid

7NX

7NX
Name:	cyclohexylmethyl hydrogen carbonate
Formula:	C8 H14 O3
SMILES:	OC(=O)OCC1CCCCC1
InChi:	InChI=1S/C8H14O3/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
Definition date:	2016-11-29
Last modified:	2024-09-27
Release date:	2017-12-20
Identifier:	cyclohexylmethyl hydrogen carbonate

7O3

7O3
Name:	2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide
Formula:	C16 H12 Cl2 N4 O2
SMILES:	Oc1ccc(Cl)c(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1
InChi:	InChI=1S/C16H12Cl2N4O2/c17-7-15(24)21-9-1-3-11-13(5-9)19-8-20-16(11)22-14-6-10(23)2-4-12(14)18/h1-6,8,23H,7H2,(H,21,24)(H,19,20,22)
Definition date:	2016-12-01
Last modified:	2024-09-27
Release date:	2017-05-17
Identifier:	2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide

MS6

MS6
Name:	(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
Formula:	C5 H13 N S2
SMILES:	C(N)(CS)CCSC
InChi:	InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
Definition date:	2020-09-03
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol

7ON

7ON
Name:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
Formula:	C31 H44 F3 N5 O6
SMILES:	FC(F)(F)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C(=O)C(=O)NC5CCCC5
InChi:	InChI=1S/C31H44F3N5O6/c32-31(33,34)30(45)38-23(17-7-2-1-3-8-17)29(44)39-16-19-9-6-12-21(19)24(39)27(42)37-22(15-18-13-14-35-26(18)41)25(40)28(43)36-20-10-4-5-11-20/h17-24H,1-16H2,(H,35,41)(H,36,43)(H,37,42)(H,38,45)/t18-,19-,21-,22-,23-,24-/m0/s1
Definition date:	2023-03-01
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide

MSW

MSW
Name:	[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
Formula:	C13 H20 N O5 P
SMILES:	CCC[P](O)(=O)O[CH](CNC(=O)OC)c1ccccc1
InChi:	InChI=1S/C13H20NO5P/c1-3-9-20(16,17)19-12(10-14-13(15)18-2)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,14,15)(H,16,17)/t12-/m1/s1
Definition date:	2016-09-06
Last modified:	2024-09-27
Release date:	2017-09-13
Identifier:	[(1~{S})-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

MTN

MTN
Name:	S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Formula:	C10 H18 N O3 S2
SMILES:	ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C
InChi:	InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3
Synonyms:	MTSL
Definition date:	2003-12-10
Last modified:	2024-09-27
Identifier:	S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate

4XP

4XP
Name:	4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)
Formula:	C9 H14 N6
SMILES:	C(Cc1nnn(C)c1)Cc2nnn(c2)C
InChi:	InChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3
Definition date:	2015-06-18
Last modified:	2024-09-27
Release date:	2016-06-29
Identifier:	4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)

4XQ

4XQ
Name:	4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole)
Formula:	C15 H26 N6
SMILES:	C(Cn1cc(nn1)CCCCCc2cn(CCC)nn2)C
InChi:	InChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3
Definition date:	2015-06-18
Last modified:	2024-09-27
Release date:	2016-06-29
Identifier:	4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole)

MTY

MTY
Name:	META-TYROSINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)Cc1cc(O)ccc1
InChi:	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-hydroxy-L-phenylalanine

MU4

MU4
Name:	N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C27 H54 N3 O8 P
SMILES:	OP(OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCCCCCC)=O)C)(=O)O
InChi:	InChI=1S/C27H54N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h25,33H,4-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/t25-/m0/s1
Definition date:	2019-04-15
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

MU9

MU9
Name:	2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C21 H27 Cl2 F2 N3 O2
SMILES:	FC1(F)CCC(CC1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl
InChi:	InChI=1S/C21H27Cl2F2N3O2/c22-13-18(29)26-14-15-5-11-28(12-6-15)19(30)20(7-9-21(24,25)10-8-20)27-17-3-1-16(23)2-4-17/h1-4,15,27H,5-14H2,(H,26,29)
Definition date:	2022-08-04
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide

4Y8

4Y8
Name:	1-hydroxypropan-2-one
Formula:	C3 H6 O2
SMILES:	O=C(C)CO
InChi:	InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
Definition date:	2015-03-05
Last modified:	2024-09-27
Release date:	2015-07-01
Identifier:	1-hydroxypropan-2-one

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