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8CQ

8CQ
Name:	2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid
Formula:	C26 H17 N O8
SMILES:	OC(=O)c1cc(ccc1O)N2[CH](c3ccc4C(=O)OCc4c3)C(=C(O)C2=O)C(=O)c5ccccc5
InChi:	InChI=1S/C26H17NO8/c28-19-9-7-16(11-18(19)25(32)33)27-21(14-6-8-17-15(10-14)12-35-26(17)34)20(23(30)24(27)31)22(29)13-4-2-1-3-5-13/h1-11,21,28,30H,12H2,(H,32,33)/t21-/m1/s1
Definition date:	2021-10-08
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid

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

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

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

AY3

AY3
Name:	4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid
Formula:	C16 H11 N O3
SMILES:	OC(=O)c1ccc(cc1)C=C2C(=O)Nc3ccccc23
InChi:	InChI=1S/C16H11NO3/c18-15-13(12-3-1-2-4-14(12)17-15)9-10-5-7-11(8-6-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+
Definition date:	2021-12-06
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid

7VK

7VK
Name:	2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid
Formula:	C28 H20 N2 O7
SMILES:	OC(=O)c1ccccc1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)cc2
InChi:	InChI=1S/C28H20N2O7/c31-25(29-23-7-3-1-5-21(23)27(33)34)17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)26(32)30-24-8-4-2-6-22(24)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
Definition date:	2021-09-09
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid

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

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

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

8WL

8WL
Name:	N-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
Formula:	C21 H24 F N7 O5 S
SMILES:	CC(C)c1noc(n1)C2CCN(CC2)c3ncnc(Nc4ccc(cc4F)[S](C)(=O)=O)c3[N+]([O-])=O
InChi:	InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)
Synonyms:	AR231453
Definition date:	2021-12-27
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	~{N}-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

C0I

C0I
Name:	(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
Formula:	C40 H46 N6 O2
SMILES:	O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(C4)Cc5ccc(cc5)C(=O)NCCc6c[nH]c7ccccc67
InChi:	InChI=1S/C40H46N6O2/c47-39(43-23-20-30-25-44-35-13-4-1-10-32(30)35)29-18-16-28(17-19-29)26-46-24-7-9-31(27-46)40(48)42-22-8-21-41-38-33-11-2-5-14-36(33)45-37-15-6-3-12-34(37)38/h1-2,4-5,10-11,13-14,16-19,25,31,44H,3,6-9,12,15,20-24,26-27H2,(H,41,45)(H,42,48)(H,43,47)/t31-/m0/s1
Definition date:	2021-12-14
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide

C4I

C4I
Name:	(3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
Formula:	C40 H43 N5 O2
SMILES:	O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(C4)Cc5ccc(cc5)C(=O)Nc6cccc7ccccc67
InChi:	InChI=1S/C40H43N5O2/c46-39(42-24-9-23-41-38-33-14-3-5-16-36(33)43-37-17-6-4-15-34(37)38)31-12-8-25-45(27-31)26-28-19-21-30(22-20-28)40(47)44-35-18-7-11-29-10-1-2-13-32(29)35/h1-3,5,7,10-11,13-14,16,18-22,31H,4,6,8-9,12,15,17,23-27H2,(H,41,43)(H,42,46)(H,44,47)/t31-/m0/s1
Definition date:	2021-12-14
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide

CI8

CI8
Name:	2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid
Formula:	C29 H36 F2 N3 O7 S
SMILES:	COc1cc2sc(CNC(=O)C3(CC(O)=O)Cc4cc(F)c(F)cc4C3)nc2cc1OCCC[N+](C)(CCO)CCO
InChi:	InChI=1S/C29H35F2N3O7S/c1-34(5-7-35,6-8-36)4-3-9-41-24-12-22-25(13-23(24)40-2)42-26(33-22)17-32-28(39)29(16-27(37)38)14-18-10-20(30)21(31)11-19(18)15-29/h10-13,35-36H,3-9,14-17H2,1-2H3,(H-,32,37,38,39)/p+1
Definition date:	2021-12-14
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	3-[[2-[[[5,6-bis(fluoranyl)-2-(2-hydroxy-2-oxoethyl)-1,3-dihydroinden-2-yl]carbonylamino]methyl]-6-methoxy-1,3-benzothiazol-5-yl]oxy]propyl-bis(2-hydroxyethyl)-methyl-azanium

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

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)

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

HZO

HZO
Name:	2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one
Formula:	C19 H17 N O
SMILES:	CC1(C)CC(=O)c2cnc3ccc4ccccc4c3c2C1
InChi:	InChI=1S/C19H17NO/c1-19(2)9-14-15(17(21)10-19)11-20-16-8-7-12-5-3-4-6-13(12)18(14)16/h3-8,11H,9-10H2,1-2H3
Definition date:	2021-03-05
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one

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

Y3S

Y3S
Name:	(2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide
Formula:	C18 H20 F N3 O3 S
SMILES:	COc1ccc(NC(=O)N2CCN(C[CH]2C)C(=O)c3sccc3F)cc1
InChi:	InChI=1S/C18H20FN3O3S/c1-12-11-21(17(23)16-15(19)7-10-26-16)8-9-22(12)18(24)20-13-3-5-14(25-2)6-4-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,20,24)/t12-/m1/s1
Definition date:	2021-02-03
Last modified:	2022-12-14
Release date:	2021-02-17
Identifier:	(2~{R})-4-(3-fluoranylthiophen-2-yl)carbonyl-~{N}-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide

Y3Y

Y3Y
Name:	(2R)-N-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide
Formula:	C14 H21 N3 O3 S
SMILES:	COCCNC(=O)N1CCN(C[CH]1C)C(=O)c2sccc2
InChi:	InChI=1S/C14H21N3O3S/c1-11-10-16(13(18)12-4-3-9-21-12)6-7-17(11)14(19)15-5-8-20-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,19)/t11-/m1/s1
Definition date:	2021-02-03
Last modified:	2022-12-14
Release date:	2021-02-17
Identifier:	(2~{R})-~{N}-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide

1YH

1YH
Name:	(3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
Formula:	C29 H43 N5 O4
SMILES:	O=C(NC(C(=O)N2CC1N(CCC1)CC2C(=O)NC3c4c(OCC3)cccc4)C5CCCCC5)C(NC)C
InChi:	InChI=1S/C29H43N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h6-7,12-13,19-21,23-24,26,30H,3-5,8-11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1
Definition date:	2013-08-02
Last modified:	2022-12-13
Release date:	2013-08-28
Identifier:	(3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

88K

88K
Name:	(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Formula:	C30 H52 O3
SMILES:	CC1(C)CCC[C](C)(O1)[CH]2CC[C]3(C)[CH]2[CH](O)C[CH]4[C]5(C)CC[CH](O)C(C)(C)[CH]5CC[C]34C
InChi:	InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
Synonyms:	Panaxadiol
Definition date:	2021-11-30
Last modified:	2022-12-12
Release date:	2022-12-07
Identifier:	(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{R})-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,12-diol

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