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OAO

OAO
Name:	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide
Formula:	C18 H17 Cl N4 O3
SMILES:	Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1
InChi:	InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide

NV9

NV9
Name:	2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide
Formula:	C19 H15 Cl N2 O
SMILES:	O=C(Nc1cnccc1c1ccccc1)Cc1cccc(Cl)c1
InChi:	InChI=1S/C19H15ClN2O/c20-16-8-4-5-14(11-16)12-19(23)22-18-13-21-10-9-17(18)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide

PYA

PYA
Name:	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE
Formula:	C15 H13 N3 O2
SMILES:	O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3
InChi:	InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-(1,10-phenanthrolin-2-yl)-L-alanine

NGX

NGX
Name:	(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
Formula:	C11 H12 Cl N3 O
SMILES:	OC(Cc1cccc(Cl)c1)Cn1cncn1
InChi:	InChI=1S/C11H12ClN3O/c12-10-3-1-2-9(4-10)5-11(16)6-15-8-13-7-14-15/h1-4,7-8,11,16H,5-6H2/t11-/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol

VO8

VO8
Name:	5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile
Formula:	C29 H23 N3 O4
SMILES:	N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1c2ccccc2N(C(=O)CC)C1=O
InChi:	InChI=1S/C29H23N3O4/c1-2-28(33)32-24-10-4-3-9-23(24)31(29(32)34)16-17-35-26-11-5-6-12-27(26)36-25-13-7-8-21-18-20(19-30)14-15-22(21)25/h3-15,18H,2,16-17H2,1H3
Definition date:	2023-09-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	5-{2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile

RYH

RYH
Name:	4-(4-aminocarbonylphenoxy)benzoic acid
Formula:	C14 H11 N O4
SMILES:	NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
InChi:	InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
Definition date:	2023-04-05
Last modified:	2023-11-03
Release date:	2023-04-12
Identifier:	4-(4-aminocarbonylphenoxy)benzoic acid

TMD

TMD
Name:	(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIMETHYL-THREONINE
Formula:	C10 H21 N O3
SMILES:	O=C(O)C(NC)C(O)C(CCCC)C
InChi:	InChI=1S/C10H21NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-butyl-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid

VOI

VOI
Name:	3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
Formula:	C20 H19 N3 O3
SMILES:	CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:	InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3
Definition date:	2023-09-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide

PJX

PJX
Name:	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C20 H18 Cl N3 O
SMILES:	Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H18ClN3O/c1-24-9-8-16(17-10-14(21)6-7-19(17)24)20(25)23-18-12-22-11-13-4-2-3-5-15(13)18/h2-7,10-12,16H,8-9H2,1H3,(H,23,25)/t16-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

NVO

NVO
Name:	2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
Formula:	C16 H12 Cl N3 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1nncc2ccccc21
InChi:	InChI=1S/C16H12ClN3O/c17-13-6-3-4-11(8-13)9-15(21)19-16-14-7-2-1-5-12(14)10-18-20-16/h1-8,10H,9H2,(H,19,20,21)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide

03O

03O
Name:	4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
Formula:	C15 H18 N6 O3
SMILES:	O=C(O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C
InChi:	InChI=1S/C15H18N6O3/c1-21-10(6-17-9-4-2-8(3-5-9)14(23)24)7-18-12-11(21)13(22)20-15(16)19-12/h2-5,10,17H,6-7H2,1H3,(H,23,24)(H4,16,18,19,20,22)/t10-/m0/s1
Synonyms:	5-methyl tetrahydropteroic acid
Definition date:	2011-11-04
Last modified:	2023-11-03
Identifier:	4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid

V9M

V9M
Name:	(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
Formula:	C15 H32 N O2
SMILES:	C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O
InChi:	InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1
Definition date:	2020-07-21
Last modified:	2023-11-03
Release date:	2020-09-16
Identifier:	(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium

YYA

YYA
Name:	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid
Formula:	C11 H19 N O3
SMILES:	O=C(O)C(NC)C(O)C(CC=C/C=C)C
InChi:	InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1
Definition date:	2010-11-19
Last modified:	2023-11-03
Identifier:	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid

VOU

VOU
Name:	(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
Formula:	C22 H21 N3 O3
SMILES:	O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1
InChi:	InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2
Definition date:	2023-09-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile

NW0

NW0
Name:	3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C15 H15 Cl N2 O
SMILES:	O=C(Nc1cnccc1C)CCc1cccc(Cl)c1
InChi:	InChI=1S/C15H15ClN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide

VP2

VP2
Name:	3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
Formula:	C20 H17 F2 N3 O3
SMILES:	FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:	InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26)
Definition date:	2023-09-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide

PZ6

PZ6
Name:	(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C20 H18 Cl N3 O2
SMILES:	Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

RZF

RZF
Name:	2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
Formula:	C24 H20 Cl2 N4 O3
SMILES:	Clc1cc2c(cc1)cncc2N1CCC2(CN(CC(=O)NC)C(=O)c3ccc(Cl)cc32)C1=O
InChi:	InChI=1S/C24H20Cl2N4O3/c1-27-21(31)12-29-13-24(19-9-16(26)4-5-17(19)22(29)32)6-7-30(23(24)33)20-11-28-10-14-2-3-15(25)8-18(14)20/h2-5,8-11H,6-7,12-13H2,1H3,(H,27,31)/t24-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide

OBO

OBO
Name:	2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide
Formula:	C14 H11 Cl N4 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2nc[NH]c12
InChi:	InChI=1S/C14H11ClN4O/c15-10-3-1-2-9(4-10)5-13(20)19-12-7-16-6-11-14(12)18-8-17-11/h1-4,6-8H,5H2,(H,17,18)(H,19,20)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide

UU4

UU4
Name:	(2S)-2-amino-4-(L-serylamino)butanoic acid
Formula:	C7 H15 N3 O4
SMILES:	O=C(NCCC(C(=O)O)N)C(N)CO
InChi:	InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1
Definition date:	2012-11-14
Last modified:	2023-11-03
Release date:	2013-08-21
Identifier:	(2S)-2-amino-4-(L-serylamino)butanoic acid

OBS

OBS
Name:	(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-1-HYDROXYDIHYDRO-2H-THIOPYRANIUM-3(4H)-YLIDENE]-L-LYSINE
Formula:	C16 H26 N2 O7 S
SMILES:	O=S1C/C(=N/CCCCC(C(=O)O)N)C(C(CCC(=O)O)C1)CC(=O)O
InChi:	InChI=1S/C16H26N2O7S/c17-12(16(23)24)3-1-2-6-18-13-9-26(25)8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+,26+/m1/s1
Synonyms:	2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-1-OXO-TETRAHYDRO-1LAMBDA4-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[(1S,4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-oxidodihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine

VPB

VPB
Name:	(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
Formula:	C22 H21 N3 O4
SMILES:	O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1
InChi:	InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2
Definition date:	2023-09-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile

YJF

YJF
Name:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
Formula:	C20 H27 N3 O11 S2
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S](=O)(=O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H27N3O11S2/c24-7-10-14(26)13(23-6-12(21-22-23)36(31,32)9-4-2-1-3-5-9)16(28)19(33-10)35-20-18(30)17(29)15(27)11(8-25)34-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
Definition date:	2023-06-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol

NWI

NWI
Name:	2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide
Formula:	C16 H12 Cl N3 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2cccnc21
InChi:	InChI=1S/C16H12ClN3O/c17-13-5-1-3-11(7-13)8-15(21)20-14-10-18-9-12-4-2-6-19-16(12)14/h1-7,9-10H,8H2,(H,20,21)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide

PKW

PKW
Name:	(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C17 H15 Cl N4 O2
SMILES:	Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12
InChi:	InChI=1S/C17H15ClN4O2/c1-22-9-20-13-7-19-8-14(16(13)22)21-17(23)11-4-5-24-15-3-2-10(18)6-12(11)15/h2-3,6-9,11H,4-5H2,1H3,(H,21,23)/t11-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

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223532

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