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WG5

WG5
Name:	4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid
Formula:	C18 H10 F3 N O3 S2
SMILES:	S=C1SC(=C/c2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F
InChi:	InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-
Definition date:	2023-10-03
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid

YRI

YRI
Name:	(6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one
Formula:	C30 H32 Br2 N4 O3
SMILES:	Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3ccc(Br)c(Br)c3)n(C3CCC(OC)CC3)c2cc1
InChi:	InChI=1S/C30H32Br2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22+,27-/m0/s1
Definition date:	2023-02-16
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one

ZWG

ZWG
Name:	N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide
Formula:	C19 H22 N4 O
SMILES:	CC(C)CC(N)C(=O)Nc1ccc(cc1)c1ccnc2[NH]ccc12
InChi:	InChI=1S/C19H22N4O/c1-12(2)11-17(20)19(24)23-14-5-3-13(4-6-14)15-7-9-21-18-16(15)8-10-22-18/h3-10,12,17H,11,20H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1
Definition date:	2023-04-11
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide

YTU

YTU
Name:	(8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C19 H14 F3 N5 O
SMILES:	FC(F)(F)C1=CC(=O)n2nc(nc2N1)NCc1ccc(cc1)c1ccccc1
InChi:	InChI=1S/C19H14F3N5O/c20-19(21,22)15-10-16(28)27-18(24-15)25-17(26-27)23-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,23,24,25,26)
Definition date:	2023-02-21
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

YU2

YU2
Name:	(3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid
Formula:	C19 H16 Br N3 O4
SMILES:	Cn1nc(cc1C(=O)O)c1cc(CNC(=O)c2cc(Br)ccc2O)ccc1
InChi:	InChI=1S/C19H16BrN3O4/c1-23-16(19(26)27)9-15(22-23)12-4-2-3-11(7-12)10-21-18(25)14-8-13(20)5-6-17(14)24/h2-9,24H,10H2,1H3,(H,21,25)(H,26,27)
Definition date:	2023-02-21
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid

YU6

YU6
Name:	(5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid
Formula:	C27 H27 Cl N4 O2
SMILES:	Cc1ccc(c(Cl)c1)c1cc2nc([NH]c2c(c1)C(=O)O)CN1CCN(CC1)Cc1ccccc1
InChi:	InChI=1S/C27H27ClN4O2/c1-18-7-8-21(23(28)13-18)20-14-22(27(33)34)26-24(15-20)29-25(30-26)17-32-11-9-31(10-12-32)16-19-5-3-2-4-6-19/h2-8,13-15H,9-12,16-17H2,1H3,(H,29,30)(H,33,34)
Definition date:	2023-02-21
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid

YUB

YUB
Name:	(8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C19 H16 Cl F N6 O
SMILES:	Fc1ccccc1NCC1=CC(=O)n2nc(nc2N1)NCc1ccccc1Cl
InChi:	InChI=1S/C19H16ClFN6O/c20-14-6-2-1-5-12(14)10-23-18-25-19-24-13(9-17(28)27(19)26-18)11-22-16-8-4-3-7-15(16)21/h1-9,22H,10-11H2,(H2,23,24,25,26)
Definition date:	2023-02-21
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

YUF

YUF
Name:	(5M)-5-(2-chloro-4-methylphenyl)-1-phenyl-1H-benzimidazole-7-carboxylic acid
Formula:	C21 H15 Cl N2 O2
SMILES:	Cc1ccc(c2cc3ncn(c3c(c2)C(=O)O)c2ccccc2)c(Cl)c1
InChi:	InChI=1S/C21H15ClN2O2/c1-13-7-8-16(18(22)9-13)14-10-17(21(25)26)20-19(11-14)23-12-24(20)15-5-3-2-4-6-15/h2-12H,1H3,(H,25,26)
Definition date:	2023-02-21
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(5M)-5-(2-chloro-4-methylphenyl)-1-phenyl-1H-benzimidazole-7-carboxylic acid

YUO

YUO
Name:	(5M)-5-(2-chloro-4-methylphenyl)-1-{3-[(methanesulfonyl)amino]propyl}-1H-benzimidazole-7-carboxylic acid
Formula:	C19 H20 Cl N3 O4 S
SMILES:	Cc1ccc(c2cc3ncn(CCCNS(C)(=O)=O)c3c(c2)C(=O)O)c(Cl)c1
InChi:	InChI=1S/C19H20ClN3O4S/c1-12-4-5-14(16(20)8-12)13-9-15(19(24)25)18-17(10-13)21-11-23(18)7-3-6-22-28(2,26)27/h4-5,8-11,22H,3,6-7H2,1-2H3,(H,24,25)
Definition date:	2023-02-21
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(5M)-5-(2-chloro-4-methylphenyl)-1-{3-[(methanesulfonyl)amino]propyl}-1H-benzimidazole-7-carboxylic acid

XG3

XG3
Name:	N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea
Formula:	C14 H9 Cl2 F3 N2 O2
SMILES:	Clc1ccc(cc1NC(=O)Nc1cc(Cl)ccc1O)C(F)(F)F
InChi:	InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)
Definition date:	2023-11-01
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea

UE0

UE0
Name:	(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid
Formula:	C15 H19 N O3
SMILES:	CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2
InChi:	InChI=1S/C15H19NO3/c1-11-4-6-13(7-5-11)15(14(18)19)8-3-9-16(10-15)12(2)17/h4-7H,3,8-10H2,1-2H3,(H,18,19)/t15-/m1/s1
Definition date:	2023-02-01
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid

UEF

UEF
Name:	~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide
Formula:	C12 H15 N3 O S
SMILES:	CC1(C)CC(C1)NC(=O)c2csc3cncn23
InChi:	InChI=1S/C12H15N3OS/c1-12(2)3-8(4-12)14-11(16)9-6-17-10-5-13-7-15(9)10/h5-8H,3-4H2,1-2H3,(H,14,16)
Definition date:	2023-02-02
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide

ZHX

ZHX
Name:	~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide
Formula:	C16 H21 N3 O2
SMILES:	CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2
InChi:	InChI=1S/C16H21N3O2/c1-11(2)10-14(20)17-15-12(3)18(4)19(16(15)21)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,17,20)
Definition date:	2023-06-23
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide

UF3

UF3
Name:	9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione
Formula:	C11 H6 Cl N3 O2
SMILES:	Clc1ccc2ncc3NC(=O)C(=O)Nc3c2c1
InChi:	InChI=1S/C11H6ClN3O2/c12-5-1-2-7-6(3-5)9-8(4-13-7)14-10(16)11(17)15-9/h1-4H,(H,14,16)(H,15,17)
Definition date:	2023-02-03
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione

UFI

UFI
Name:	6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione
Formula:	C13 H9 N O4
SMILES:	COc1ccc2C(=O)N(O)C(=O)c3cccc1c23
InChi:	InChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3
Definition date:	2023-02-03
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione

UHR

UHR
Name:	[(2R)-oxan-2-yl]methanamine
Formula:	C6 H13 N O
SMILES:	NC[CH]1CCCCO1
InChi:	InChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2/t6-/m1/s1
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	[(2~{R})-oxan-2-yl]methanamine

UID

UID
Name:	ethyl (E)-3-(4-aminophenyl)prop-2-enoate
Formula:	C11 H13 N O2
SMILES:	CCOC(=O)C=Cc1ccc(N)cc1
InChi:	InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	ethyl (~{E})-3-(4-aminophenyl)prop-2-enoate

WOX

WOX
Name:	(5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one
Formula:	C19 H18 F2 N2 O2 S
SMILES:	Cc1ccsc1C2=NO[C]3(CCCN(Cc4c(F)cccc4F)C3=O)C2
InChi:	InChI=1S/C19H18F2N2O2S/c1-12-6-9-26-17(12)16-10-19(25-22-16)7-3-8-23(18(19)24)11-13-14(20)4-2-5-15(13)21/h2,4-6,9H,3,7-8,10-11H2,1H3/t19-/m0/s1
Definition date:	2023-10-10
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one

YKF

YKF
Name:	methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate
Formula:	C23 H21 N3 O5
SMILES:	O=C(OC)NN(C=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2)c(C)c1
InChi:	InChI=1S/C23H21N3O5/c1-16-13-18(26(15-27)25-23(29)30-2)11-12-21(16)24-22(28)17-7-6-10-20(14-17)31-19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,28)(H,25,29)
Definition date:	2023-02-09
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate

WP2

WP2
Name:	(5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
Formula:	C18 H16 F2 N2 O2 S
SMILES:	Cc1ccsc1C2=NO[C]3(CCN(Cc4c(F)cccc4F)C3=O)C2
InChi:	InChI=1S/C18H16F2N2O2S/c1-11-5-8-25-16(11)15-9-18(24-21-15)6-7-22(17(18)23)10-12-13(19)3-2-4-14(12)20/h2-5,8H,6-7,9-10H2,1H3/t18-/m0/s1
Definition date:	2023-10-10
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one

UIS

UIS
Name:	N-[3-(diethylamino)phenyl]ethanamide
Formula:	C12 H18 N2 O
SMILES:	CCN(CC)c1cccc(NC(C)=O)c1
InChi:	InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	~{N}-[3-(diethylamino)phenyl]ethanamide

U4R

U4R
Name:	(2E)-but-2-en-1-yl dihydrogen phosphate
Formula:	C4 H9 O4 P
SMILES:	O=P(O)(O)OCC=CC
InChi:	InChI=1S/C4H9O4P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+
Definition date:	2023-08-30
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2E)-but-2-en-1-yl dihydrogen phosphate

C55

C55
Name:	(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid
Formula:	C8 H11 N3 O7
SMILES:	O=C(CO/N=C/C(=O)NCC(=O)O)NCC(=O)O
InChi:	InChI=1S/C8H11N3O7/c12-5(9-2-7(14)15)1-11-18-4-6(13)10-3-8(16)17/h1H,2-4H2,(H,9,12)(H,10,13)(H,14,15)(H,16,17)/b11-1+
Definition date:	2024-02-15
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid (non-preferred name)

RK3

RK3
Name:	(1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol
Formula:	C17 H21 N5 O13 P2
SMILES:	O[CH]1[CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O2)n4cnc5c6nccn6cnc45
InChi:	InChI=1S/C17H21N5O13P2/c23-10-7-3-30-36(26,27)35-37(28,29)31-4-8-13(34-17(33-7)11(10)24)12(25)16(32-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-25H,3-4H2,(H,26,27)(H,28,29)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1
Synonyms:	1''-3'gc(etheno)ADPR
Definition date:	2022-11-30
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(1~{S},3~{S},4~{R},5~{R},7~{R},15~{R},16~{S},17~{R})-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol

A1H0F

A1H0F
Name:	(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol
Formula:	C5 H8 F2 O3
SMILES:	OC[CH]1OCC(F)(F)[CH]1O
InChi:	InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
Definition date:	2023-12-15
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol

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