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I6K

I6K
Name:	2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex
Formula:	C15 H9 Au Cl N9
SMILES:	Cl[Au-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6
InChi:	InChI=1S/C15H9N9.Au.ClH/c1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12
Definition date:	2022-02-15
Last modified:	2022-12-23
Release date:	2022-12-28

E93

E93
Name:	ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
Formula:	C22 H24 N2 O2
SMILES:	CCOC(=O)c1cc2cc(ccc2n1CC3CCCC3)c4ccncc4
InChi:	InChI=1S/C22H24N2O2/c1-2-26-22(25)21-14-19-13-18(17-9-11-23-12-10-17)7-8-20(19)24(21)15-16-5-3-4-6-16/h7-14,16H,2-6,15H2,1H3
Definition date:	2022-01-04
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate

E9I

E9I
Name:	2-(3,4-dimethoxyphenyl)ethanamide
Formula:	C10 H13 N O3
SMILES:	COc1ccc(CC(N)=O)cc1OC
InChi:	InChI=1S/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12)
Definition date:	2022-01-04
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	2-(3,4-dimethoxyphenyl)ethanamide

A8R

A8R
Name:	(2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid
Formula:	C33 H37 Cl N2 O4
SMILES:	CC(C)(C)c1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OC(C)C(=O)O)c1)c(C)c2C
InChi:	InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1
Definition date:	2021-11-08
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid

IXJ

IXJ
Name:	(2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid
Formula:	C27 H46 N8 O5
SMILES:	NCCCC[CH](NC(=O)[CH](CCCCN)NC(=O)Cc1ccccc1)C(=O)NCCCC[CH](NC(N)=N)C(O)=O
InChi:	InChI=1S/C27H46N8O5/c28-15-7-4-12-20(24(37)32-17-9-6-14-22(26(39)40)35-27(30)31)34-25(38)21(13-5-8-16-29)33-23(36)18-19-10-2-1-3-11-19/h1-3,10-11,20-22H,4-9,12-18,28-29H2,(H,32,37)(H,33,36)(H,34,38)(H,39,40)(H4,30,31,35)/t20-,21-,22+/m0/s1
Definition date:	2022-04-20
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid

IXU

IXU
Name:	(2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide
Formula:	C21 H44 N8 O3
SMILES:	CCC(=O)N[CH](CCCCN)C(=O)N[CH](CCCCN)C(=O)NCCCCCNC(N)=N
InChi:	InChI=1S/C21H44N8O3/c1-2-18(30)28-17(11-5-7-13-23)20(32)29-16(10-4-6-12-22)19(31)26-14-8-3-9-15-27-21(24)25/h16-17H,2-15,22-23H2,1H3,(H,26,31)(H,28,30)(H,29,32)(H4,24,25,27)/t16-,17-/m0/s1
Definition date:	2022-04-20
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide

IY3

IY3
Name:	(2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide
Formula:	C28 H50 N10 O4
SMILES:	NCCCC[CH](NC(=O)Cc1cccc(CN)c1)C(=O)N[CH](CCCCN)C(=O)NCCCC[CH](NC(N)=N)C(N)=O
InChi:	InChI=1S/C28H50N10O4/c29-13-4-1-11-22(26(41)35-15-6-3-10-21(25(32)40)38-28(33)34)37-27(42)23(12-2-5-14-30)36-24(39)17-19-8-7-9-20(16-19)18-31/h7-9,16,21-23H,1-6,10-15,17-18,29-31H2,(H2,32,40)(H,35,41)(H,36,39)(H,37,42)(H4,33,34,38)/t21-,22+,23+/m1/s1
Definition date:	2022-04-20
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide

K6I

K6I
Name:	~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide
Formula:	C19 H20 F N5 O2 S
SMILES:	CC(C)CCN1C(=O)c2nccnc2N=C1SCC(=O)Nc3ccccc3F
InChi:	InChI=1S/C19H20FN5O2S/c1-12(2)7-10-25-18(27)16-17(22-9-8-21-16)24-19(25)28-11-15(26)23-14-6-4-3-5-13(14)20/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,23,26)
Definition date:	2022-05-19
Last modified:	2022-12-23
Release date:	2022-11-16
Identifier:	~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide

K8R

K8R
Name:	~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
Formula:	C21 H24 N4 O2 S
SMILES:	O=C(NCCCN1CCOCC1)c2csc(Nc3cccc4ccccc34)n2
InChi:	InChI=1S/C21H24N4O2S/c26-20(22-9-4-10-25-11-13-27-14-12-25)19-15-28-21(24-19)23-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2,(H,22,26)(H,23,24)
Definition date:	2022-05-19
Last modified:	2022-12-23
Release date:	2022-11-16
Identifier:	~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide

KA0

KA0
Name:	6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C18 H21 N5 O3
SMILES:	CN(Cc1ccc2OCOc2c1)C3=Nc4n(ncc4C(=O)N3)C(C)(C)C
InChi:	InChI=1S/C18H21N5O3/c1-18(2,3)23-15-12(8-19-23)16(24)21-17(20-15)22(4)9-11-5-6-13-14(7-11)26-10-25-13/h5-8H,9-10H2,1-4H3,(H,20,21,24)
Definition date:	2022-05-23
Last modified:	2022-12-23
Release date:	2022-11-16
Identifier:	6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one

H8T

H8T
Name:	Virginiamycin M
Formula:	C28 H33 N3 O7
SMILES:	CC(C)[CH]1OC(=O)c2cccn2C(=O)c3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3
InChi:	InChI=1S/C28H33N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-10,12-13,16-17,19-20,26,32H,11,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1
Definition date:	2018-11-26
Last modified:	2022-12-19
Release date:	2020-07-08
Identifier:	(10~{R},11~{R},12~{E},17~{E},19~{E},21~{S})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone

U3L

U3L
Name:	(2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one
Formula:	C8 H8 Br N3 O2
SMILES:	OC1=C(NC(Br)=CC1=O)C1=NCCN1
InChi:	InChI=1S/C8H8BrN3O2/c9-5-3-4(13)7(14)6(12-5)8-10-1-2-11-8/h3,14H,1-2H2,(H,10,11)(H,12,13)
Definition date:	2022-08-03
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one

U3U

U3U
Name:	6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
Formula:	C7 H7 Br N2 O4
SMILES:	OC1=C(NC(Br)=CC1=O)C(=O)NOC
InChi:	InChI=1S/C7H7BrN2O4/c1-14-10-7(13)5-6(12)3(11)2-4(8)9-5/h2,12H,1H3,(H,9,11)(H,10,13)
Definition date:	2022-08-03
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide

O2U

O2U
Name:	[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid
Formula:	C6 H7 N O5
SMILES:	O=C1C(CC(=O)O)CC(=O)N1O
InChi:	InChI=1S/C6H7NO5/c8-4-1-3(2-5(9)10)6(11)7(4)12/h3,12H,1-2H2,(H,9,10)/t3-/m0/s1
Definition date:	2022-04-19
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid

PQO

PQO
Name:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
Formula:	C6 H5 Br N2 O3
SMILES:	OC1=C(NC(Br)=CC1=O)C(N)=O
InChi:	InChI=1S/C6H5BrN2O3/c7-3-1-2(10)5(11)4(9-3)6(8)12/h1,11H,(H2,8,12)(H,9,10)
Definition date:	2022-05-29
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide

UKL

UKL
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)
Formula:	C37 H66 N7 O17 P3 S
SMILES:	CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChi:	InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-26(45)22-65-20-19-39-28(46)17-18-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-21-27-31(60-62(50,51)52)30(47)36(59-27)44-25-43-29-33(38)41-24-42-34(29)44/h24-25,27,30-32,36,47-48H,4-23H2,1-3H3,(H,39,46)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t27-,30-,31-,32+,36-/m1/s1
Definition date:	2022-08-22
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)

T6U

T6U
Name:	(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
Formula:	C8 H6 Br N3 O3
SMILES:	OC1=C(NC(Br)=CC1=O)c1nc(C)on1
InChi:	InChI=1S/C8H6BrN3O3/c1-3-10-8(12-15-3)6-7(14)4(13)2-5(9)11-6/h2,14H,1H3,(H,11,13)
Definition date:	2022-07-19
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one

R6X

R6X
Name:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Formula:	C6 H4 Br N O4
SMILES:	OC1=C(NC(Br)=CC1=O)C(=O)O
InChi:	InChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h1,10H,(H,8,9)(H,11,12)
Definition date:	2022-06-21
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

R7C

R7C
Name:	(2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one
Formula:	C6 H4 Br N5 O2
SMILES:	OC1=C(NC(Br)=CC1=O)c1nnn[NH]1
InChi:	InChI=1S/C6H4BrN5O2/c7-3-1-2(13)5(14)4(8-3)6-9-11-12-10-6/h1,14H,(H,8,13)(H,9,10,11,12)
Definition date:	2022-06-21
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one

Q3O

Q3O
Name:	3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Formula:	C6 H5 N O4
SMILES:	OC1=C(NC=CC1=O)C(=O)O
InChi:	InChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h1-2,9H,(H,7,8)(H,10,11)
Definition date:	2022-06-01
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

PJN

PJN
Name:	(2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one
Formula:	C23 H16 N2 O6
SMILES:	Oc1ccccc1N2[CH](c3ccc(cc3)[N](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4
InChi:	InChI=1S/C23H16N2O6/c26-18-9-5-4-8-17(18)24-20(14-10-12-16(13-11-14)25(30)31)19(22(28)23(24)29)21(27)15-6-2-1-3-7-15/h1-13,20,26,28H/t20-/m1/s1
Definition date:	2020-04-22
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one

R6O

R6O
Name:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile
Formula:	C6 H3 Br N2 O2
SMILES:	OC1=C(C#N)NC(Br)=CC1=O
InChi:	InChI=1S/C6H3BrN2O2/c7-5-1-4(10)6(11)3(2-8)9-5/h1,11H,(H,9,10)
Definition date:	2022-06-21
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile

QEO

QEO
Name:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-beta-D-ribofuranosyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C17 H23 N5 O7
SMILES:	OC1C=CC(NCc2cn(c3N=C(N)NC(=O)c32)C2OC(CO)C(O)C2O)C1O
InChi:	InChI=1S/C17H23N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h1-2,4,7-9,11-13,16,19,23-27H,3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16+/m0/s1
Definition date:	2022-02-22
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-beta-D-ribofuranosyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

8QU

8QU
Name:	(3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid
Formula:	C12 H12 N4 O5
SMILES:	OC(=O)[CH]1CCCN(C1)c2ccc(c3nonc23)[N+]([O-])=O
InChi:	InChI=1S/C12H12N4O5/c17-12(18)7-2-1-5-15(6-7)8-3-4-9(16(19)20)11-10(8)13-21-14-11/h3-4,7H,1-2,5-6H2,(H,17,18)/t7-/m0/s1
Definition date:	2021-12-24
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(3~{S})-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid

8VP

8VP
Name:	2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
Formula:	C22 H24 N8 O S
SMILES:	CCc1cnc(nc1)N2CCC(CC2)c3scc(COc4ccc(cc4)n5cnnn5)n3
InChi:	InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3
Synonyms:	MBX-2982
Definition date:	2021-12-27
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

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