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RGX

RGX
Name:	(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C22 H21 Cl N4 O3 S
SMILES:	O=S(=O)(NC1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C22H21ClN4O3S/c23-16-6-5-15-12-27(31(29,30)26-17-7-8-17)13-20(19(15)9-16)22(28)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20,26H,7-8,12-13H2,(H,25,28)/t20-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

MZF

MZF
Name:	(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one
Formula:	C11 H8 Br N3 O3
SMILES:	Brc1cc2C(O)C(=O)N(Cc3ncon3)c2cc1
InChi:	InChI=1S/C11H8BrN3O3/c12-6-1-2-8-7(3-6)10(16)11(17)15(8)4-9-13-5-18-14-9/h1-3,5,10,16H,4H2/t10-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one

N00

N00
Name:	(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid
Formula:	C16 H14 Cl N O2
SMILES:	O=C(O)C(C)c1ccc2c3cc(Cl)ccc3[NH]c2c1C
InChi:	InChI=1S/C16H14ClNO2/c1-8-11(9(2)16(19)20)4-5-12-13-7-10(17)3-6-14(13)18-15(8)12/h3-7,9,18H,1-2H3,(H,19,20)/t9-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid

N0A

N0A
Name:	3-fluoro-L-phenylalanine
Formula:	C9 H10 F N O2
SMILES:	NC(Cc1cccc(c1)F)C(=O)O
InChi:	InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2019-04-26
Last modified:	2023-11-03
Release date:	2020-04-29
Identifier:	3-fluoro-L-phenylalanine

N0F

N0F
Name:	(3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide
Formula:	C18 H23 N3 O2 S
SMILES:	Cc1ccncc1NC(=O)CC(N1CCC(O)CC1)c1ccsc1
InChi:	InChI=1S/C18H23N3O2S/c1-13-2-6-19-11-16(13)20-18(23)10-17(14-5-9-24-12-14)21-7-3-15(22)4-8-21/h2,5-6,9,11-12,15,17,22H,3-4,7-8,10H2,1H3,(H,20,23)/t17-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide

N0O

N0O
Name:	(3S)-5-chloro-N-(4-phenyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C17 H13 Cl N4 O2
SMILES:	Clc1cc2c(cc1)OCC2C(=O)Nc1nncn1c1ccccc1
InChi:	InChI=1S/C17H13ClN4O2/c18-11-6-7-15-13(8-11)14(9-24-15)16(23)20-17-21-19-10-22(17)12-4-2-1-3-5-12/h1-8,10,14H,9H2,(H,20,21,23)/t14-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(4-phenyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

N0X

N0X
Name:	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C16 H18 N4 O2
SMILES:	O=C(Nc1nncn1C1CC1)C1(C)CCOc2ccccc21
InChi:	InChI=1S/C16H18N4O2/c1-16(8-9-22-13-5-3-2-4-12(13)16)14(21)18-15-19-17-10-20(15)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,18,19,21)/t16-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide

N1U

N1U
Name:	(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one
Formula:	C18 H18 Br N O4
SMILES:	COc1ccc(cc1OC)CN1c2c(C)cc(Br)cc2C(O)C1=O
InChi:	InChI=1S/C18H18BrNO4/c1-10-6-12(19)8-13-16(10)20(18(22)17(13)21)9-11-4-5-14(23-2)15(7-11)24-3/h4-8,17,21H,9H2,1-3H3/t17-/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one

6A0

6A0
Name:	(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid
Formula:	C8 H16 N2 O4
SMILES:	NC(C(O)=O)CCCCCC(NO)=O
InChi:	InChI=1S/C8H16N2O4/c9-6(8(12)13)4-2-1-3-5-7(11)10-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
Definition date:	2016-02-24
Last modified:	2023-11-03
Release date:	2016-05-11
Identifier:	(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid

N2X

N2X
Name:	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C17 H16 Br N O3
SMILES:	CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O
InChi:	InChI=1S/C17H16BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9,16,20H,2,10H2,1H3/t16-/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one

6BR

6BR
Name:	threoninevanadate
Formula:	C4 H8 N O7 V
SMILES:	NC(C(O[V]([O-])(=O)([O-])[O-])C)C(O)=O
InChi:	InChI=1S/C4H8NO3.4O.V/c1-2(6)3(5)4(7)8
Definition date:	2016-03-03
Last modified:	2023-11-03
Release date:	2016-06-15
Identifier:	trioxido(oxo)(L-threoninato-kappaO~3~)vanadate(3-)

N3I

N3I
Name:	2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C15 H15 Cl N2 O2
SMILES:	O=C(Nc1cnccc1C)Cc1cc(OC)cc(Cl)c1
InChi:	InChI=1S/C15H15ClN2O2/c1-10-3-4-17-9-14(10)18-15(19)7-11-5-12(16)8-13(6-11)20-2/h3-6,8-9H,7H2,1-2H3,(H,18,19)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide

N3R

N3R
Name:	5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C19 H17 F N2 O4
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(F)c21
InChi:	InChI=1S/C19H17FN2O4/c1-25-15-7-2-3-8-16(15)26-10-9-21-19(24)12-11-17(23)22-14-6-4-5-13(20)18(12)14/h2-8,11H,9-10H2,1H3,(H,21,24)(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

N43

N43
Name:	5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H20 N2 O5
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(OC)c12
InChi:	InChI=1S/C20H20N2O5/c1-25-15-7-3-4-8-16(15)27-11-10-21-20(24)13-12-18(23)22-14-6-5-9-17(26-2)19(13)14/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

N4L

N4L
Name:	N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H20 N2 O4
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(C)c21
InChi:	InChI=1S/C20H20N2O4/c1-13-6-5-7-15-19(13)14(12-18(23)22-15)20(24)21-10-11-26-17-9-4-3-8-16(17)25-2/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

6CV

6CV
Name:	3-bromo-L-phenylalanine
Formula:	C9 H10 Br N O2
SMILES:	Brc1cccc(CC(N)C(O)=O)c1
InChi:	InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-03-15
Last modified:	2023-11-03
Release date:	2016-10-26
Identifier:	3-bromo-L-phenylalanine

6CW

6CW
Name:	6-CHLORO-L-TRYPTOPHAN
Formula:	C11 H11 Cl N2 O2
SMILES:	O=C(O)C(N)Cc2c1ccc(Cl)cc1nc2
InChi:	InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:	2005-09-22
Last modified:	2023-11-03
Identifier:	6-chloro-L-tryptophan

6D6

6D6
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
Formula:	C17 H28 N8 O5
SMILES:	C(CCN(CCC(C(O)=O)N)CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)N
InChi:	InChI=1S/C17H28N8O5/c18-3-1-4-24(5-2-9(19)17(28)29)6-10-12(26)13(27)16(30-10)25-8-23-11-14(20)21-7-22-15(11)25/h7-10,12-13,16,26-27H,1-6,18-19H2,(H,28,29)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2016-03-16
Last modified:	2023-11-03
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine

N5L

N5L
Name:	N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
Formula:	C14 H14 Cl N3 O
SMILES:	O=C(Nc1cncc(N)c1C)Cc1cccc(Cl)c1
InChi:	InChI=1S/C14H14ClN3O/c1-9-12(16)7-17-8-13(9)18-14(19)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6,16H2,1H3,(H,18,19)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide

6DN

6DN
Name:	(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
Formula:	C8 H16 N2 O4
SMILES:	N[CH](CCCCNCC(O)=O)C(O)=O
InChi:	InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
Definition date:	2016-03-30
Last modified:	2023-11-03
Release date:	2017-10-11
Identifier:	(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid

6DU

6DU
Name:	2-bromo-L-phenylalanine
Formula:	C9 H10 Br N O2
SMILES:	O=C(C(N)Cc1c(Br)cccc1)O
InChi:	InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-03-17
Last modified:	2023-11-03
Release date:	2016-10-26
Identifier:	2-bromo-L-phenylalanine

N65

N65
Name:	(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanal
Formula:	C11 H22 N2 O2
SMILES:	CCCC(C)=NCCCC[CH](N)C(O)=O
InChi:	InChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1
Definition date:	2019-11-13
Last modified:	2023-11-03
Release date:	2020-06-03
Identifier:	(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanoic acid

N6F

N6F
Name:	(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide
Formula:	C16 H16 Cl N3 O2
SMILES:	O=C(Nc1cnccc1NC(C)=O)C(C)c1cccc(Cl)c1
InChi:	InChI=1S/C16H16ClN3O2/c1-10(12-4-3-5-13(17)8-12)16(22)20-15-9-18-7-6-14(15)19-11(2)21/h3-10H,1-2H3,(H,20,22)(H,18,19,21)/t10-/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide

N6X

N6X
Name:	N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)acetamide
Formula:	C15 H14 N4 O
SMILES:	O=C(Nc1cncc(N)c1C)Cc1cccc(C#N)c1
InChi:	InChI=1S/C15H14N4O/c1-10-13(17)8-18-9-14(10)19-15(20)6-11-3-2-4-12(5-11)7-16/h2-5,8-9H,6,17H2,1H3,(H,19,20)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)acetamide

N7L

N7L
Name:	(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
Formula:	C11 H13 F N2 O
SMILES:	O=C(Nc1cnccc1C)C1CC1CF
InChi:	InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide

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