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LQL

LQL
Name:	(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:	C22 H20 Cl2 N4 O2 S
SMILES:	Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)c4cccnc4
InChi:	InChI=1S/C22H20Cl2N4O2S/c23-18-6-5-16(11-19(18)24)28-9-8-27(22(30)15-3-1-7-25-12-15)14-20(28)21(29)26-13-17-4-2-10-31-17/h1-7,10-12,20H,8-9,13-14H2,(H,26,29)/t20-/m0/s1
Definition date:	2022-07-07
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

7I4

7I4
Name:	1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
Formula:	C23 H24 F N3 O3
SMILES:	CC(C)Cc1ccc(cc1)c2onc(n2)c3ccc(CN4CC(C4)C(O)=O)c(F)c3
InChi:	InChI=1S/C23H24FN3O3/c1-14(2)9-15-3-5-16(6-4-15)22-25-21(26-30-22)17-7-8-18(20(24)10-17)11-27-12-19(13-27)23(28)29/h3-8,10,14,19H,9,11-13H2,1-2H3,(H,28,29)
Definition date:	2021-10-01
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid

7IJ

7IJ
Name:	3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one
Formula:	C21 H19 N O5
SMILES:	Oc1ccc2c(OC(=O)c3c2oc4ccc(O)c(CN5CCCCC5)c34)c1
InChi:	InChI=1S/C21H19NO5/c23-12-4-5-13-17(10-12)27-21(25)19-18-14(11-22-8-2-1-3-9-22)15(24)6-7-16(18)26-20(13)19/h4-7,10,23-24H,1-3,8-9,11H2
Definition date:	2021-10-05
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one

N6K

N6K
Name:	~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide
Formula:	C10 H13 N3 O2 S
SMILES:	CC[S](=O)(=O)NCc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C10H13N3O2S/c1-2-16(14,15)12-6-8-3-4-10-9(5-8)7-11-13-10/h3-5,7,12H,2,6H2,1H3,(H,11,13)
Synonyms:	N-(1H-indazol-5-ylmethyl)ethenesulfonamide (precursor)
Definition date:	2022-08-12
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide

NB3

NB3
Name:	~{N}-[(1-methylindazol-3-yl)methyl]propanamide
Formula:	C12 H15 N3 O
SMILES:	CCC(=O)NCc1nn(C)c2ccccc12
InChi:	InChI=1S/C12H15N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,16)
Synonyms:	N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor)
Definition date:	2022-08-16
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-[(1-methylindazol-3-yl)methyl]propanamide

NX0

NX0
Name:	1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
Formula:	C10 H12 N2 O2
SMILES:	CCC(=O)N1CCOc2ncccc12
InChi:	InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3
Synonyms:	1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor)
Definition date:	2022-08-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one

NXI

NXI
Name:	~{N}-(1~{H}-indazol-5-ylmethyl)propanamide
Formula:	C11 H13 N3 O
SMILES:	CCC(=O)NCc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C11H13N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h3-5,7H,2,6H2,1H3,(H,12,15)(H,13,14)
Synonyms:	N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor)
Definition date:	2022-08-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-(1~{H}-indazol-5-ylmethyl)propanamide

NY0

NY0
Name:	1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
Formula:	C11 H12 N2 O2
SMILES:	CCC(=O)N1CC(=Nc2ccccc12)O
InChi:	InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
Synonyms:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
Definition date:	2022-08-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one

NYI

NYI
Name:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one
Formula:	C11 H10 N2 O2
SMILES:	C=CC(=O)N1CC(=O)Nc2ccccc12
InChi:	InChI=1S/C11H10N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h2-6H,1,7H2,(H,12,14)
Definition date:	2022-08-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one

NYX

NYX
Name:	2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
Formula:	C10 H10 Cl N3 O
SMILES:	ClCC(=O)NCc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
Definition date:	2022-08-25
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide

A9X

A9X
Name:	(2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid
Formula:	C16 H18 O5 Se
SMILES:	CC[CH](CC(=O)c1[se]c2cc(OC)c(OC)cc2c1)C(O)=O
InChi:	InChI=1S/C16H18O5Se/c1-4-9(16(18)19)5-11(17)15-7-10-6-12(20-2)13(21-3)8-14(10)22-15/h6-9H,4-5H2,1-3H3,(H,18,19)/t9-/m1/s1
Definition date:	2022-03-16
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{R})-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid

QH7

QH7
Name:	2,3,6-trifluoro-N-hydroxybenzamide
Formula:	C7 H4 F3 N O2
SMILES:	Fc1c(C(=O)NO)c(F)ccc1F
InChi:	InChI=1S/C7H4F3NO2/c8-3-1-2-4(9)6(10)5(3)7(12)11-13/h1-2,13H,(H,11,12)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,6-trifluoro-N-hydroxybenzamide

QHO

QHO
Name:	2,3,5-trifluoro-N-hydroxybenzamide
Formula:	C7 H4 F3 N O2
SMILES:	Fc1c(cc(F)cc1F)C(=O)NO
InChi:	InChI=1S/C7H4F3NO2/c8-3-1-4(7(12)11-13)6(10)5(9)2-3/h1-2,13H,(H,11,12)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,5-trifluoro-N-hydroxybenzamide

QHX

QHX
Name:	3,5-difluoro-N-hydroxybenzamide
Formula:	C7 H5 F2 N O2
SMILES:	Fc1cc(cc(F)c1)C(=O)NO
InChi:	InChI=1S/C7H5F2NO2/c8-5-1-4(7(11)10-12)2-6(9)3-5/h1-3,12H,(H,10,11)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	3,5-difluoro-N-hydroxybenzamide

QI5

QI5
Name:	2,3,4,5,6-pentafluoro-N-hydroxybenzamide
Formula:	C7 H2 F5 N O2
SMILES:	Fc1c(c(F)c(F)c(F)c1F)C(=O)NO
InChi:	InChI=1S/C7H2F5NO2/c8-2-1(7(14)13-15)3(9)5(11)6(12)4(2)10/h15H,(H,13,14)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,4,5,6-pentafluoro-N-hydroxybenzamide

QI8

QI8
Name:	2,3,5,6-tetrafluoro-N-hydroxybenzamide
Formula:	C7 H3 F4 N O2
SMILES:	Fc1c(C(=O)NO)c(F)c(F)cc1F
InChi:	InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,5,6-tetrafluoro-N-hydroxybenzamide

8FI

8FI
Name:	2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
Formula:	C17 H14 F3 N3 O2
SMILES:	FC(F)(F)c1ccc(NCCc2[NH]nc3ccccc23)c(c1)C(=O)O
InChi:	InChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-6-13(12(9-10)16(24)25)21-8-7-15-11-3-1-2-4-14(11)22-23-15/h1-6,9,21H,7-8H2,(H,22,23)(H,24,25)
Definition date:	2021-09-16
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid

8IL

8IL
Name:	2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
Formula:	C18 H15 F3 N2 O2
SMILES:	FC(F)(F)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O
InChi:	InChI=1S/C18H15F3N2O2/c19-18(20,21)12-5-6-16(14(9-12)17(24)25)22-8-7-11-10-23-15-4-2-1-3-13(11)15/h1-6,9-10,22-23H,7-8H2,(H,24,25)
Definition date:	2021-09-20
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid

8IQ

8IQ
Name:	2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid
Formula:	C18 H15 F3 N2 O3
SMILES:	FC(F)(F)Oc1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O
InChi:	InChI=1S/C18H15F3N2O3/c19-18(20,21)26-12-5-6-16(14(9-12)17(24)25)22-8-7-11-10-23-15-4-2-1-3-13(11)15/h1-6,9-10,22-23H,7-8H2,(H,24,25)
Definition date:	2021-09-20
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid

FI5

FI5
Name:	4-piperidin-4-yloxypyridine-2-carboxamide
Formula:	C11 H15 N3 O2
SMILES:	NC(=O)c1cc(OC2CCNCC2)ccn1
InChi:	InChI=1S/C11H15N3O2/c12-11(15)10-7-9(3-6-14-10)16-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H2,12,15)
Definition date:	2022-01-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	4-piperidin-4-yloxypyridine-2-carboxamide

FI9

FI9
Name:	5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one
Formula:	C11 H15 N3 O2
SMILES:	NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2
InChi:	InChI=1S/C11H15N3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8/h1-2,7,9H,3-6,12H2,(H,13,15)
Definition date:	2022-01-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one

FIY

FIY
Name:	2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine
Formula:	C13 H17 N5 O S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2
InChi:	InChI=1S/C13H17N5OS/c1-4-8-10(7(3)19)6(2)16-11(8)9-5-20-13(17-9)18-12(14)15/h5,16H,4H2,1-3H3,(H4,14,15,17,18)
Definition date:	2022-01-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine

FS6

FS6
Name:	1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone
Formula:	C15 H21 N3 O S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2
InChi:	InChI=1S/C15H21N3OS/c1-5-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-7-16-4/h8,16-17H,5-7H2,1-4H3
Definition date:	2022-01-25
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone

FWR

FWR
Name:	1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone
Formula:	C15 H21 N3 O S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(CCCN)n2
InChi:	InChI=1S/C15H21N3OS/c1-4-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-5-7-16/h8,17H,4-7,16H2,1-3H3
Definition date:	2022-01-26
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone

G0I

G0I
Name:	1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone
Formula:	C17 H24 N4 O S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCNCC3)n2
InChi:	InChI=1S/C17H24N4OS/c1-4-13-16(12(3)22)11(2)19-17(13)14-10-23-15(20-14)9-21-7-5-18-6-8-21/h10,18-19H,4-9H2,1-3H3
Definition date:	2022-01-26
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone

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