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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

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

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

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

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

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

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

YLI

YLI
Name:	(3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H17 Br N2 O2 S
SMILES:	NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1
InChi:	InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18+/m0/s1
Definition date:	2023-12-05
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

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

YLR

YLR
Name:	(3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C22 H20 N2 O2 S
SMILES:	NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc21
InChi:	InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)/t17-,19+,22+/m0/s1
Definition date:	2023-12-05
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

UIV

UIV
Name:	~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
Formula:	C13 H21 N3 O
SMILES:	Cn1cc(CN(C)C(=O)C2CCCCC2)cn1
InChi:	InChI=1S/C13H21N3O/c1-15(9-11-8-14-16(2)10-11)13(17)12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide

YM9

YM9
Name:	(5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid
Formula:	C15 H10 Cl F N2 O2
SMILES:	Fc1cc(c2cc3nc[NH]c3c(c2)C(=O)O)c(Cl)cc1C
InChi:	InChI=1S/C15H10ClFN2O2/c1-7-2-11(16)9(5-12(7)17)8-3-10(15(20)21)14-13(4-8)18-6-19-14/h2-6H,1H3,(H,18,19)(H,20,21)
Definition date:	2023-02-09
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid

YME

YME
Name:	(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
Formula:	C16 H10 Cl N O3
SMILES:	O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O
InChi:	InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21)
Definition date:	2023-02-09
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid

YMI

YMI
Name:	3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Formula:	C11 H9 F N2 O2
SMILES:	Cn1nc(cc1C(=O)O)c1ccc(F)cc1
InChi:	InChI=1S/C11H9FN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
Definition date:	2023-02-09
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid

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

YMT

YMT
Name:	(6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid
Formula:	C22 H17 Cl N2 O2
SMILES:	O=C(O)c1cc(cc2nn(cc12)Cc1ccccc1)c1ccc(C)cc1Cl
InChi:	InChI=1S/C22H17ClN2O2/c1-14-7-8-17(20(23)9-14)16-10-18(22(26)27)19-13-25(24-21(19)11-16)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,26,27)
Definition date:	2023-02-09
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid

Y5C

Y5C
Name:	4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid
Formula:	C17 H17 F N4 O3
SMILES:	O=C(O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21
InChi:	InChI=1S/C17H17FN4O3/c18-12-9-10(4-5-11(12)16(24)25)3-1-2-7-22-8-6-13-14(22)15(23)21-17(19)20-13/h4-6,8-9H,1-3,7H2,(H,24,25)(H3,19,20,21,23)
Definition date:	2023-06-12
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid

UK6

UK6
Name:	sclareol
Formula:	C20 H36 O2
SMILES:	CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[C](C)(O)C=C
InChi:	InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
Synonyms:	(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(1~{R},2~{R},4~{a}~{S},8~{a}~{S})-2,5,5,8~{a}-tetramethyl-1-[(3~{R})-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-2-ol

XOB

XOB
Name:	1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione
Formula:	C15 H12 N2 O5 S
SMILES:	ON1C(=O)N(C[CH]2COc3ccccc3O2)c4ccsc4C1=O
InChi:	InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2/t9-/m1/s1
Definition date:	2023-06-08
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione

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