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VW2

VW2
Name:	N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
Formula:	C21 H20 Cl N3 O3
SMILES:	CCC(=O)N(C)CCOc1ccccc1Oc1cc(Cl)cn2cc(cc12)C#N
InChi:	InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)8-9-27-18-6-4-5-7-19(18)28-20-11-16(22)14-25-13-15(12-23)10-17(20)25/h4-7,10-11,13-14H,3,8-9H2,1-2H3
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide

OIK

OIK
Name:	(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
Formula:	C20 H19 N3 O
SMILES:	O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:	InChI=1S/C20H19N3O/c24-20(19-15-21-14-16-6-4-5-9-18(16)19)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone

V1C

V1C
Name:	(2S)-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid
Formula:	C16 H21 N3 O2
SMILES:	CC(C)Cn1cc(cn1)c2ccc(C[CH](N)C(O)=O)cc2
InChi:	InChI=1S/C16H21N3O2/c1-11(2)9-19-10-14(8-18-19)13-5-3-12(4-6-13)7-15(17)16(20)21/h3-6,8,10-11,15H,7,9,17H2,1-2H3,(H,20,21)/t15-/m0/s1
Definition date:	2023-07-03
Last modified:	2023-11-03
Release date:	2023-11-01
Identifier:	(2~{S})-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid

ZCL

ZCL
Name:	3,4-dichloro-L-phenylalanine
Formula:	C9 H9 Cl2 N O2
SMILES:	Clc1ccc(cc1Cl)CC(C(=O)O)N
InChi:	InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
Definition date:	2010-12-29
Last modified:	2023-11-03
Identifier:	3,4-dichloro-L-phenylalanine

OIM

OIM
Name:	[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C21 H26 N4 O6
SMILES:	O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)C(C)CC
InChi:	InChI=1S/C21H26N4O6/c1-4-11(2)18(22)21(30)24-17(12(3)31-21)19-23-15(20(29)25(19)10-16(27)28)9-13-5-7-14(26)8-6-13/h5-9,11-12,18,26,30H,4,10,22H2,1-3H3,(H,27,28)/b15-9-/t11-,12+,18-,21+/m0/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2014-04-30
Last modified:	2023-11-03
Release date:	2014-07-08
Identifier:	[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

Q60

Q60
Name:	N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea
Formula:	C19 H22 N6 O
SMILES:	Cn1cc(CNC(=O)N(Cc2cccnc2)CCc2ccccc2)nn1
InChi:	InChI=1S/C19H22N6O/c1-24-15-18(22-23-24)13-21-19(26)25(14-17-8-5-10-20-12-17)11-9-16-6-3-2-4-7-16/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,21,26)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea

VWB

VWB
Name:	5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile
Formula:	C24 H22 N2 O3
SMILES:	O=C(CCOc1ccccc1Oc1cccc2cc(C#N)ccc21)N1CCCC1
InChi:	InChI=1S/C24H22N2O3/c25-17-18-10-11-20-19(16-18)6-5-9-21(20)29-23-8-2-1-7-22(23)28-15-12-24(27)26-13-3-4-14-26/h1-2,5-11,16H,3-4,12-15H2
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile

NOI

NOI
Name:	2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide
Formula:	C12 H12 Cl N3 O
SMILES:	O=C(Nc1cncn1C)Cc1cccc(Cl)c1
InChi:	InChI=1S/C12H12ClN3O/c1-16-8-14-7-11(16)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7-8H,6H2,1H3,(H,15,17)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide

YAC

YAC
Name:	(4Z)-6-oxo-6-phenylhex-4-enoic acid
Formula:	C12 H12 O3
SMILES:	O=C(C=C/CCC(=O)O)c1ccccc1
InChi:	InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,14,15)/b8-4-
Definition date:	2014-10-02
Last modified:	2023-11-03
Release date:	2014-12-03
Identifier:	(4Z)-6-oxo-6-phenylhex-4-enoic acid

TTQ

TTQ
Name:	6-AMINO-7-HYDROXY-L-TRYPTOPHAN
Formula:	C11 H13 N3 O3
SMILES:	O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N
InChi:	InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1
Definition date:	2006-08-21
Last modified:	2023-11-03
Identifier:	6-amino-7-hydroxy-L-tryptophan

Q69

Q69
Name:	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
Formula:	C10 H12 Cl N O2
SMILES:	Clc1cc(ccc1)C(NC(C)=O)CO
InChi:	InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide

ZV4

ZV4
Name:	(2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid
Formula:	C9 H12 N O5 P
SMILES:	N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
Synonyms:	phosphophenylalanine
Definition date:	2023-04-06
Last modified:	2023-11-03
Release date:	2023-04-19
Identifier:	(2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid

TTS

TTS
Name:	3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE
Formula:	C17 H18 N2 O5
SMILES:	O=C2C=C(O)/C(=N/CCc1ccc(O)cc1)C=C2CC(C(=O)O)N
InChi:	InChI=1S/C17H18N2O5/c18-13(17(23)24)7-11-8-14(16(22)9-15(11)21)19-6-5-10-1-3-12(20)4-2-10/h1-4,8-9,13,20,22H,5-7,18H2,(H,23,24)/b19-14+/t13-/m0/s1
Definition date:	2005-09-06
Last modified:	2023-11-03
Identifier:	3-[(3E)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

OIX

OIX
Name:	N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide
Formula:	C19 H18 N2 O3
SMILES:	COc1ccccc1OCCNC(=O)c1cncc2ccccc21
InChi:	InChI=1S/C19H18N2O3/c1-23-17-8-4-5-9-18(17)24-11-10-21-19(22)16-13-20-12-14-6-2-3-7-15(14)16/h2-9,12-13H,10-11H2,1H3,(H,21,22)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide

S6K

S6K
Name:	1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C27 H25 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2C)c1cncc2ccccc21
InChi:	InChI=1S/C27H25ClN4O3S/c1-18-13-32(24-12-30-11-19-4-2-3-5-22(19)24)25(33)27(18)16-31(14-20-6-7-21(28)10-23(20)27)36(34,35)17-26(15-29)8-9-26/h2-7,10-12,18H,8-9,13-14,16-17H2,1H3/t18-,27-/m0/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

KFU

KFU
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C18 H13 Cl N2 O2
SMILES:	Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

VWK

VWK
Name:	3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide
Formula:	C22 H20 N2 O3
SMILES:	CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChi:	InChI=1S/C22H20N2O3/c1-24(2)22(25)12-13-26-20-7-3-4-8-21(20)27-19-9-5-6-17-14-16(15-23)10-11-18(17)19/h3-11,14H,12-13H2,1-2H3
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide

NOR

NOR
Name:	CYCLOHEXYL-NORSTATINE
Formula:	C13 H25 N O3
SMILES:	O=C(OC(C)C)C(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	propan-2-yl (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate

O3I

O3I
Name:	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide
Formula:	C21 H17 Cl F2 N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cc(cc(Cl)c1)c1ccc(C)c(F)c1F
InChi:	InChI=1S/C21H17ClF2N2O/c1-12-5-6-25-11-18(12)26-19(27)9-14-7-15(10-16(22)8-14)17-4-3-13(2)20(23)21(17)24/h3-8,10-11H,9H2,1-2H3,(H,26,27)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide

PRK

PRK
Name:	N~6~-propanoyl-L-lysine
Formula:	C9 H18 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CC
InChi:	InChI=1S/C9H18N2O3/c1-2-8(12)11-6-4-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
Synonyms:	N(6)-Propionyllysine
Definition date:	2010-05-12
Last modified:	2023-11-03
Identifier:	N~6~-propanoyl-L-lysine

VHF

VHF
Name:	(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid
Formula:	C5 H10 N O7 P
SMILES:	N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1
Definition date:	2023-03-06
Last modified:	2023-11-03
Release date:	2023-03-15
Identifier:	(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid

ZDJ

ZDJ
Name:	3-methyl-L-tyrosine
Formula:	C10 H13 N O3
SMILES:	Cc1cc(CC(N)C(=O)O)ccc1O
InChi:	InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1
Definition date:	2021-04-15
Last modified:	2023-11-03
Release date:	2021-12-29
Identifier:	3-methyl-L-tyrosine

OJ9

OJ9
Name:	2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide
Formula:	C19 H13 Cl N2 O2
SMILES:	Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H13ClN2O2/c20-15-7-12-5-6-24-19(12)14(8-15)9-18(23)22-17-11-21-10-13-3-1-2-4-16(13)17/h1-8,10-11H,9H2,(H,22,23)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide

VWU

VWU
Name:	2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide
Formula:	C17 H13 Cl3 N2 O2
SMILES:	Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)CCl
InChi:	InChI=1S/C17H13Cl3N2O2/c18-9-17(23)22-4-3-11-1-2-15(20)16(7-11)24-14-6-12(10-21)5-13(19)8-14/h1-2,5-8H,3-4,9H2,(H,22,23)
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide

PRQ

PRQ
Name:	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid
Formula:	C9 H10 N2 O4
SMILES:	[O-][N+](=O)c1ccccc1C(N)CC(=O)O
InChi:	InChI=1S/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2007-10-17
Last modified:	2023-11-03
Identifier:	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid

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