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I5G

I5G
Name:	1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide
Formula:	C23 H20 Cl2 N4 O3
SMILES:	COc1cc2c(Cl)nccc2cc1C(=O)N[CH]([CH]3C[CH](O)CN3)c4ccc(C#N)c(Cl)c4
InChi:	InChI=1S/C23H20Cl2N4O3/c1-32-20-9-16-12(4-5-27-22(16)25)6-17(20)23(31)29-21(19-8-15(30)11-28-19)13-2-3-14(10-26)18(24)7-13/h2-7,9,15,19,21,28,30H,8,11H2,1H3,(H,29,31)/t15-,19+,21-/m0/s1
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide

KBO

KBO
Name:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Formula:	C28 H34 N4 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4cccnc34)c1
InChi:	InChI=1S/C28H34N4O2/c1-3-28(4-2,21-33)27(34)30-25-12-5-8-22(18-25)19-31-14-16-32(17-15-31)20-24-10-6-9-23-11-7-13-29-26(23)24/h5-13,18,21H,3-4,14-17,19-20H2,1-2H3,(H,30,34)
Definition date:	2022-05-23
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide

KFC

KFC
Name:	~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide
Formula:	C22 H23 N3 O
SMILES:	Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4
InChi:	InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)
Definition date:	2022-05-25
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide

0TL

0TL
Name:	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C11 H16 N5 O8 P
SMILES:	Nc1ncnc2n(cnc12)[C]3(CO)O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C11H16N5O8P/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-17)8(19)7(18)5(24-11)1-23-25(20,21)22/h3-5,7-8,17-19H,1-2H2,(H2,12,13,14)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1
Definition date:	2021-06-14
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

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

80S

80S
Name:	2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
Formula:	C22 H17 Cl2 N3 O4 S
SMILES:	C[CH](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4
InChi:	InChI=1S/C22H17Cl2N3O4S/c1-10-16(23)17(24)19(25-10)20(28)27-22-26-18-14(8-13(21(29)30)9-15(18)32-22)31-11(2)12-6-4-3-5-7-12/h3-9,11,25H,1-2H3,(H,29,30)(H,26,27,28)/t11-/m0/s1
Definition date:	2021-09-21
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-[(1~{S})-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid

81N

81N
Name:	2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
Formula:	C22 H17 Cl2 N3 O4 S
SMILES:	C[CH](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4
InChi:	InChI=1S/C22H17Cl2N3O4S/c1-10-16(23)17(24)19(25-10)20(28)27-22-26-18-14(8-13(21(29)30)9-15(18)32-22)31-11(2)12-6-4-3-5-7-12/h3-9,11,25H,1-2H3,(H,29,30)(H,26,27,28)/t11-/m1/s1
Definition date:	2021-09-26
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-[(1~{R})-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid

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

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

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

5L1

5L1
Name:	11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
Formula:	C29 H24 F2 N7 Pt
SMILES:	Cn1cc[n](c2ccccn2)c1[Pt](c3cc(F)cc(F)c3c4ccccn4)c5n(cc[n]5C)c6ccccn6
InChi:	InChI=1S/C11H6F2N.2C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11
Definition date:	2021-08-19
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene

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

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

LQ6

LQ6
Name:	(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:	C21 H19 Cl2 N5 O4 S
SMILES:	Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)C4=CC(=O)NC(=O)N4
InChi:	InChI=1S/C21H19Cl2N5O4S/c22-14-4-3-12(8-15(14)23)28-6-5-27(20(31)16-9-18(29)26-21(32)25-16)11-17(28)19(30)24-10-13-2-1-7-33-13/h1-4,7-9,17H,5-6,10-11H2,(H,24,30)(H2,25,26,29,32)/t17-/m0/s1
Definition date:	2022-07-07
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

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

UA6

UA6
Name:	2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide
Formula:	C23 H15 F6 N3 O
SMILES:	FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c2ccccc2)c(c1)C(F)(F)F
InChi:	InChI=1S/C23H15F6N3O/c24-22(25,26)17-11-10-16(20(15-17)23(27,28)29)14-21(33)32(19-8-2-1-3-9-19)13-5-7-18-6-4-12-30-31-18/h1-4,6,8-12,15H,13-14H2
Definition date:	2022-08-15
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide

UAF

UAF
Name:	N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide
Formula:	C16 H14 F3 N3 S
SMILES:	FC(F)(F)C1=C2C=CC=C2NN1CC(=S)N(C)c1ccccc1
InChi:	InChI=1S/C16H14F3N3S/c1-21(11-6-3-2-4-7-11)14(23)10-22-15(16(17,18)19)12-8-5-9-13(12)20-22/h2-9,20H,10H2,1H3
Definition date:	2022-08-15
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide

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

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