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N7B

N7B
Name:	~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Formula:	C31 H29 N7 O3
SMILES:	CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23
InChi:	InChI=1S/C31H29N7O3/c1-2-28(40)37-25-15-21(8-11-27(25)41-13-12-39)24-17-32-30-29(24)31(34-19-33-30)36-23-9-10-26-22(14-23)16-35-38(26)18-20-6-4-3-5-7-20/h3-11,14-17,19,39H,2,12-13,18H2,1H3,(H,37,40)(H2,32,33,34,36)
Definition date:	2019-11-14
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide

9R1

9R1
Name:	(2S)-2-aminooctanedioic acid
Formula:	C8 H15 N O4
SMILES:	NC(CCCCCC(O)=O)C(O)=O
InChi:	InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
Definition date:	2017-06-01
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	(2S)-2-aminooctanedioic acid

9R4

9R4
Name:	D-gamma-glutamyl-2-methyl-L-alanine
Formula:	C9 H16 N2 O5
SMILES:	NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O
InChi:	InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1
Definition date:	2017-06-01
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	D-gamma-glutamyl-2-methyl-L-alanine

9R7

9R7
Name:	L-gamma-glutamylglycine
Formula:	C7 H12 N2 O5
SMILES:	NC(CCC(NCC(O)=O)=O)C(=O)O
InChi:	InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
Definition date:	2017-06-02
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	L-gamma-glutamylglycine

N7K

N7K
Name:	~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Formula:	C29 H25 N7 O
SMILES:	CCC(=O)Nc1cccc(c1)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23
InChi:	InChI=1S/C29H25N7O/c1-2-26(37)34-22-10-6-9-20(13-22)24-16-30-28-27(24)29(32-18-31-28)35-23-11-12-25-21(14-23)15-33-36(25)17-19-7-4-3-5-8-19/h3-16,18H,2,17H2,1H3,(H,34,37)(H2,30,31,32,35)
Definition date:	2019-11-14
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide

N7P

N7P
Name:	1-ACETYL-L-PROLINE
Formula:	C7 H11 N O3
SMILES:	OC(=O)C1N(C(=O)C)CCC1
InChi:	InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
Synonyms:	N-ACETYLPROLINE
Definition date:	2003-02-21
Last modified:	2024-09-27
Identifier:	1-acetyl-L-proline

9RI

9RI
Name:	N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine
Formula:	C14 H26 N2 O2
SMILES:	CN(CCCCC(N)C(=O)O)C1CC2CCC1C2
InChi:	InChI=1S/C14H26N2O2/c1-16(7-3-2-4-12(15)14(17)18)13-9-10-5-6-11(13)8-10/h10-13H,2-9,15H2,1H3,(H,17,18)/t10-,11+,12-,13-/m0/s1
Definition date:	2021-10-26
Last modified:	2024-09-27
Release date:	2021-11-17
Identifier:	N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine

N7W

N7W
Name:	~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
Formula:	C31 H32 Cl N7 O3
SMILES:	CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23
InChi:	InChI=1S/C31H32ClN7O3/c1-4-28(40)38-25-15-20(8-10-27(25)41-14-13-39(2)3)23-17-34-30-29(23)31(36-19-35-30)37-21-9-11-26(24(32)16-21)42-18-22-7-5-6-12-33-22/h5-12,15-17,19H,4,13-14,18H2,1-3H3,(H,38,40)(H2,34,35,36,37)
Definition date:	2019-11-14
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide

N80

N80
Name:	1-ethenyl-L-proline
Formula:	C7 H11 N O2
SMILES:	O=C(O)C1N(C=C)CCC1
InChi:	InChI=1S/C7H11NO2/c1-2-8-5-3-4-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)/t6-/m0/s1
Definition date:	2014-11-25
Last modified:	2024-09-27
Release date:	2015-03-11
Identifier:	1-ethenyl-L-proline

N82

N82
Name:	~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
Formula:	C34 H33 N7 O4
SMILES:	CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23
InChi:	InChI=1S/C34H33N7O4/c1-4-29(42)39-27-17-22(11-14-28(27)45-16-15-40(2)3)26-18-35-31-30(26)32(37-20-36-31)38-23-12-9-21(10-13-23)19-41-33(43)24-7-5-6-8-25(24)34(41)44/h5-14,17-18,20H,4,15-16,19H2,1-3H3,(H,39,42)(H2,35,36,37,38)
Definition date:	2019-11-14
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide

9S7

9S7
Name:	5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Formula:	C11 H18 F N O7
SMILES:	O=C(O)C1C(F)C(C(C(O1)C(O)CCO)NC(=O)C)O
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-7-8(17)6(12)10(11(18)19)20-9(7)5(16)2-3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8+,9+,10+/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

N8L

N8L
Name:	1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
Formula:	C16 H20 N4 O
SMILES:	CCC(=O)N1CCC[CH]1c2c(C)[nH]nc2c3ccncc3
InChi:	InChI=1S/C16H20N4O/c1-3-14(21)20-10-4-5-13(20)15-11(2)18-19-16(15)12-6-8-17-9-7-12/h6-9,13H,3-5,10H2,1-2H3,(H,18,19)/t13-/m0/s1
Definition date:	2022-08-12
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

N8O

N8O
Name:	~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide
Formula:	C12 H15 N5 O
SMILES:	CN(C)c1cc(NC(=O)C=C)nc2cc(C)nn12
InChi:	InChI=1S/C12H15N5O/c1-5-11(18)14-9-7-12(16(3)4)17-10(13-9)6-8(2)15-17/h5-7H,1H2,2-4H3,(H,13,14,18)
Definition date:	2023-01-11
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide

9SJ

9SJ
Name:	5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Formula:	C11 H18 F N O7
SMILES:	O=C(C)NC1C(O)C(F)C(OC1CC(CO)O)C(=O)O
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7+,8-,9-,10-/m0/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

N8U

N8U
Name:	~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide
Formula:	C9 H11 N3 O2 S
SMILES:	CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-3-4-9-7(5-8)6-10-11-9/h3-6,12H,2H2,1H3,(H,10,11)
Definition date:	2022-08-12
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide

9SL

9SL
Name:	[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Formula:	C10 H17 N7 O4
SMILES:	C132C(CCN1C(=NC(COC(=O)N)C2NC(=N3)N)N)(O)O
InChi:	InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
Synonyms:	Saxitoxin
Definition date:	2018-07-18
Last modified:	2024-09-27
Release date:	2018-08-08
Identifier:	[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

N8W

N8W
Name:	~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide
Formula:	C9 H14 N2 O5
SMILES:	CC(=O)N[CH]1CN2[CH](COC2=O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H14N2O5/c1-4(12)10-5-2-11-6(3-16-9(11)15)8(14)7(5)13/h5-8,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1
Definition date:	2019-11-15
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide

9SV

9SV
Name:	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione
Formula:	C21 H20 N2 O2 S
SMILES:	C1N(CCN(C1)C2=C(C(c3ccccc3C2=O)=O)Sc4ccccc4)C
InChi:	InChI=1S/C21H20N2O2S/c1-22-11-13-23(14-12-22)18-19(24)16-9-5-6-10-17(16)20(25)21(18)26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
Synonyms:	BOUND FORM
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2017-06-21
Identifier:	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione

9SW

9SW
Name:	methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Formula:	C21 H41 O6 P
SMILES:	CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC
InChi:	InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1
Definition date:	2017-07-09
Last modified:	2024-09-27
Release date:	2018-01-24
Identifier:	methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid

N95

N95
Name:	[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
Formula:	C7 H6 B Cl N4 O2
SMILES:	Clc1ncnc(c1)n2ncc(c2)B(O)O
InChi:	InChI=1S/C7H6BClN4O2/c9-6-1-7(11-4-10-6)13-3-5(2-12-13)8(14)15/h1-4,14-15H
Definition date:	2013-08-06
Last modified:	2024-09-27
Release date:	2014-07-30
Identifier:	[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid

N96

N96
Name:	~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
Formula:	C9 H12 N2 O2 S
SMILES:	CCC(=O)Nc1sc2COCCc2n1
InChi:	InChI=1S/C9H12N2O2S/c1-2-8(12)11-9-10-6-3-4-13-5-7(6)14-9/h2-5H2,1H3,(H,10,11,12)
Definition date:	2022-08-12
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide

9T1

9T1
Name:	5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
Formula:	C11 H16 F N O7
SMILES:	O=C(C)NC1C(=O)C(F)C(OC1C(C(C)O)O)C(=O)O
InChi:	InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-7,9-10,14,16H,1-2H3,(H,13,15)(H,18,19)/t3-,5-,6-,7-,9+,10-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid

N99

N99
Name:	~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide
Formula:	C10 H9 N3 O
SMILES:	C=CC(=O)Nc1cc2ccccn2n1
InChi:	InChI=1S/C10H9N3O/c1-2-10(14)11-9-7-8-5-3-4-6-13(8)12-9/h2-7H,1H2,(H,11,12,14)
Definition date:	2023-01-11
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide

N9M

N9M
Name:	benzyl (carboxyoxy)carbamate
Formula:	C9 H9 N O5
SMILES:	c1cccc(c1)COC(=O)NOC(O)=O
InChi:	InChI=1S/C9H9NO5/c11-8(10-15-9(12)13)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)
Definition date:	2019-05-09
Last modified:	2024-09-27
Release date:	2019-06-12
Identifier:	benzyl (carboxyoxy)carbamate

9TG

9TG
Name:	3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
Formula:	C15 H16 B N O5 S
SMILES:	c2c(C(=O)O)cc(CC(B(O)O)NC(=O)Cc1cccs1)cc2
InChi:	InChI=1S/C15H16BNO5S/c18-14(9-12-5-2-6-23-12)17-13(16(21)22)8-10-3-1-4-11(7-10)15(19)20/h1-7,13,21-22H,8-9H2,(H,17,18)(H,19,20)/t13-/m0/s1
Synonyms:	boronic acid transition state inhibitor EC04
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2017-11-29
Identifier:	3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid

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