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8SN

8SN
Name:	(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
Formula:	C13 H18 N2 O3
SMILES:	C[CH]1C[CH](N2[CH]1C=C[CH]3CCN[CH]3C2=O)C(O)=O
InChi:	InChI=1S/C13H18N2O3/c1-7-6-10(13(17)18)15-9(7)3-2-8-4-5-14-11(8)12(15)16/h2-3,7-11,14H,4-6H2,1H3,(H,17,18)/t7-,8+,9+,10+,11+/m1/s1
Definition date:	2017-03-03
Last modified:	2023-11-03
Release date:	2018-03-21
Identifier:	(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid

O7D

O7D
Name:	4-methoxy-N-methyl-L-tryptophan
Formula:	C13 H16 N2 O3
SMILES:	CNC(Cc1cnc2cccc(c12)OC)C(=O)O
InChi:	InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1
Definition date:	2019-06-17
Last modified:	2023-11-03
Release date:	2020-05-13
Identifier:	4-methoxy-N-methyl-L-tryptophan

O87

O87
Name:	4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
Formula:	C21 H18 F3 N3 O2
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(ccc1)C(F)(F)F
InChi:	InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one

O8L

O8L
Name:	(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C18 H18 Cl N3 O3
SMILES:	Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N2)c1
InChi:	InChI=1S/C18H18ClN3O3/c1-10-3-4-20-9-15(10)21-18(24)11(2)12-5-13(19)7-14(6-12)25-17-8-16(23)22-17/h3-7,9,11,17H,8H2,1-2H3,(H,21,24)(H,22,23)/t11-,17+/m0/s1
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide

O9O

O9O
Name:	N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide
Formula:	C23 H18 Cl N3 O3
SMILES:	COc1cccc(Oc2cc(NC(=O)Cc3cncc4ccccc43)cc(Cl)c2)n1
InChi:	InChI=1S/C23H18ClN3O3/c1-29-22-7-4-8-23(27-22)30-19-11-17(24)10-18(12-19)26-21(28)9-16-14-25-13-15-5-2-3-6-20(15)16/h2-8,10-14H,9H2,1H3,(H,26,28)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide

O9X

O9X
Name:	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C10 H12 F2 N2 O2
SMILES:	O=C(Nc1cnccc1C)C(C)OC(F)F
InChi:	InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m1/s1
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide

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

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

Q0I

Q0I
Name:	(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C22 H19 Cl N2 O3
SMILES:	CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/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)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide

Q1C

Q1C
Name:	2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H21 N3 O
SMILES:	O=C(CN1CCC(C)CC1)Nc1cnccc1C
InChi:	InChI=1S/C14H21N3O/c1-11-4-7-17(8-5-11)10-14(18)16-13-9-15-6-3-12(13)2/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,18)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide

Q1U

Q1U
Name:	2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
Formula:	C18 H15 Cl N2 O2
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OC
InChi:	InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide

Q2G

Q2G
Name:	N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea
Formula:	C13 H12 Cl N3 O
SMILES:	O=C(Nc1cnccc1C)Nc1cccc(Cl)c1
InChi:	InChI=1S/C13H12ClN3O/c1-9-5-6-15-8-12(9)17-13(18)16-11-4-2-3-10(14)7-11/h2-8H,1H3,(H2,16,17,18)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea

Q2K

Q2K
Name:	2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid
Formula:	C9 H11 N3 O4 S
SMILES:	CSCCC(=N)C1=NC(=O)C(=O)N1CC(O)=O
InChi:	InChI=1S/C9H11N3O4S/c1-17-3-2-5(10)7-11-8(15)9(16)12(7)4-6(13)14/h10H,2-4H2,1H3,(H,13,14)/b10-5-
Synonyms:	CHROMOPHORE (MET-TYR-GLY)
Definition date:	2022-10-11
Last modified:	2023-11-03
Release date:	2023-02-15
Identifier:	2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid

Q2U

Q2U
Name:	N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C19 H18 N2 O4
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2ccccc21
InChi:	InChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

Q36

Q36
Name:	(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C16 H15 N3 O
SMILES:	O=C(Nc1cnccc1C)C(C)c1cccc(C#N)c1
InChi:	InChI=1S/C16H15N3O/c1-11-6-7-18-10-15(11)19-16(20)12(2)14-5-3-4-13(8-14)9-17/h3-8,10,12H,1-2H3,(H,19,20)/t12-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide

Q3U

Q3U
Name:	N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea
Formula:	C12 H11 Cl N4 O
SMILES:	O=C(Nc1cc(N)cnc1)Nc1cccc(Cl)c1
InChi:	InChI=1S/C12H11ClN4O/c13-8-2-1-3-10(4-8)16-12(18)17-11-5-9(14)6-15-7-11/h1-7H,14H2,(H2,16,17,18)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea

Q45

Q45
Name:	2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide
Formula:	C15 H24 N4 O3 S
SMILES:	O=C(CN1CCCCC1CCNS(C)(=O)=O)Nc1cccnc1
InChi:	InChI=1S/C15H24N4O3S/c1-23(21,22)17-9-7-14-6-2-3-10-19(14)12-15(20)18-13-5-4-8-16-11-13/h4-5,8,11,14,17H,2-3,6-7,9-10,12H2,1H3,(H,18,20)/t14-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide

Q4F

Q4F
Name:	1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one
Formula:	C14 H17 Cl N2 O
SMILES:	CC(=O)N1CC2CC1CN2Cc1cccc(Cl)c1
InChi:	InChI=1S/C14H17ClN2O/c1-10(18)17-9-13-6-14(17)8-16(13)7-11-3-2-4-12(15)5-11/h2-5,13-14H,6-9H2,1H3/t13-,14-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one

Q4R

Q4R
Name:	N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide
Formula:	C18 H18 N4 O3 S
SMILES:	O=C(Nc1cnccc1C)CN(C)S(=O)(=O)c1cccc2cccnc21
InChi:	InChI=1S/C18H18N4O3S/c1-13-8-10-19-11-15(13)21-17(23)12-22(2)26(24,25)16-7-3-5-14-6-4-9-20-18(14)16/h3-11H,12H2,1-2H3,(H,21,23)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide

Q5C

Q5C
Name:	N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide
Formula:	C15 H16 N4 O2
SMILES:	O=C(Nc1cnccc1C)CNC(=O)Cc1cccnc1
InChi:	InChI=1S/C15H16N4O2/c1-11-4-6-17-9-13(11)19-15(21)10-18-14(20)7-12-3-2-5-16-8-12/h2-6,8-9H,7,10H2,1H3,(H,18,20)(H,19,21)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide

Q5K

Q5K
Name:	(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
Formula:	C19 H16 F N3 O4 S
SMILES:	OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChi:	InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide

Q5R

Q5R
Name:	4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
Formula:	C20 H19 N3 O2
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:	InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one

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

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

Q7C

Q7C
Name:	N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide
Formula:	C9 H16 N2 O4 S
SMILES:	O=S1(=O)CCC(C1)N(CCC(N)=O)C(C)=O
InChi:	InChI=1S/C9H16N2O4S/c1-7(12)11(4-2-9(10)13)8-3-5-16(14,15)6-8/h8H,2-6H2,1H3,(H2,10,13)/t8-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide

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