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NOU

NOU
Name:	(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid
Formula:	C9 H13 N3 O2
SMILES:	O=C(O)C(N)CCNc1ccccn1
InChi:	InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
Definition date:	2022-04-07
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid

22R

22R
Name:	2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine
Formula:	C17 H18 N2
SMILES:	Cc1[nH]c2ccc(cc2c1CCN)c3ccccc3
InChi:	InChI=1S/C17H18N2/c1-12-15(9-10-18)16-11-14(7-8-17(16)19-12)13-5-3-2-4-6-13/h2-8,11,19H,9-10,18H2,1H3
Definition date:	2022-01-26
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	2-(2-methyl-5-phenyl-1~{H}-indol-3-yl)ethanamine

NQ6

NQ6
Name:	N-(pyridin-2-yl)-L-asparagine
Formula:	C9 H11 N3 O3
SMILES:	O=C(Nc1ccccn1)CC(N)C(=O)O
InChi:	InChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13)/t6-/m0/s1
Definition date:	2022-04-07
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-(pyridin-2-yl)-L-asparagine

M5O

M5O
Name:	(2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol
Formula:	C15 H14 O6
SMILES:	O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3
InChi:	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1
Synonyms:	(-)-catechin
Definition date:	2022-07-22
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol

NO6

NO6
Name:	S-[(pyridin-2-yl)methyl]-L-cysteine
Formula:	C9 H12 N2 O2 S
SMILES:	O=C(O)C(N)CSCc1ccccn1
InChi:	InChI=1S/C9H12N2O2S/c10-8(9(12)13)6-14-5-7-3-1-2-4-11-7/h1-4,8H,5-6,10H2,(H,12,13)/t8-/m0/s1
Definition date:	2022-04-06
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	S-[(pyridin-2-yl)methyl]-L-cysteine

6I9

6I9
Name:	N-[4-(azetidin-1-yl)-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
Formula:	C23 H25 N3 O
SMILES:	CC(C)C(=O)Nc1cc2c(nc(cc2N2CCC2)c2ccc(C)cc2)cc1
InChi:	InChI=1S/C23H25N3O/c1-15(2)23(27)24-18-9-10-20-19(13-18)22(26-11-4-12-26)14-21(25-20)17-7-5-16(3)6-8-17/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,27)
Definition date:	2023-04-20
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-[4-(azetidin-1-yl)-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide

JXF

JXF
Name:	(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid
Formula:	C16 H20 N2 O6 S
SMILES:	CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2ccccc2)C(O)=O
InChi:	InChI=1S/C16H20N2O6S/c1-16(2)12(15(22)23)18-13(25-16)11(14(20)21)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1
Definition date:	2022-08-30
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid

7TZ

7TZ
Name:	N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide
Formula:	C32 H28 N6 O2
SMILES:	CCNC(=O)[CH](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4
InChi:	InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-12-14-27-29(19-25)37-21(3)20(2)36-27)18-23-8-5-22(6-9-23)7-10-24-11-13-26-28(17-24)35-16-15-34-26/h5-6,8-9,11-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m0/s1
Definition date:	2023-03-10
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	~{N}-[(2~{S})-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide

LQO

LQO
Name:	lacosamide
Formula:	C13 H18 N2 O3
SMILES:	CC(=O)NC(COC)C(=O)NCc1ccccc1
InChi:	InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Synonyms:	N~2~-acetyl-N-benzyl-O-methyl-D-serinamide
Definition date:	2023-04-12
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N~2~-acetyl-N-benzyl-O-methyl-D-serinamide

IFK

IFK
Name:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
Formula:	C29 H48 O3
SMILES:	C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3
InChi:	InChI=1S/C29H48O3/c1-20(10-8-16-28(3,4)32)24-12-6-7-13-25-23(11-9-17-29(24,25)5)15-14-22-18-26(30)21(2)27(31)19-22/h14-15,20,24-27,30-32H,2,6-13,16-19H2,1,3-5H3/b23-15+/t20-,24+,25+,26-,27-,29-/m1/s1
Definition date:	2023-08-01
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol

IG0

IG0
Name:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol
Formula:	C29 H50 O3
SMILES:	C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH](C)[CH](O)C3
InChi:	InChI=1S/C29H50O3/c1-20(10-8-16-28(3,4)32)24-12-6-7-13-25-23(11-9-17-29(24,25)5)15-14-22-18-26(30)21(2)27(31)19-22/h14-15,20-21,24-27,30-32H,6-13,16-19H2,1-5H3/b22-14-,23-15+/t20-,21-,24+,25+,26-,27-,29-/m1/s1
Definition date:	2023-08-01
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol

P5X

P5X
Name:	N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
Formula:	C24 H22 Cl N3 O S
SMILES:	Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(cc2)N(C)C)sc1
InChi:	InChI=1S/C24H22ClN3OS/c1-27(2)20-7-9-21(10-8-20)28(15-22-12-19(25)16-30-22)24(29)11-18-14-26-13-17-5-3-4-6-23(17)18/h3-10,12-14,16H,11,15H2,1-2H3
Definition date:	2022-05-25
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide

P6I

P6I
Name:	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
Formula:	C23 H19 Cl N2 O S2
SMILES:	Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(SC)cc2)sc1
InChi:	InChI=1S/C23H19ClN2OS2/c1-28-20-8-6-19(7-9-20)26(14-21-11-18(24)15-29-21)23(27)10-17-13-25-12-16-4-2-3-5-22(16)17/h2-9,11-13,15H,10,14H2,1H3
Definition date:	2022-05-25
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide

P6R

P6R
Name:	N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide
Formula:	C26 H25 Cl N2 O S
SMILES:	Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(cc2)C(C)(C)C)sc1
InChi:	InChI=1S/C26H25ClN2OS/c1-26(2,3)20-8-10-22(11-9-20)29(16-23-13-21(27)17-31-23)25(30)12-19-15-28-14-18-6-4-5-7-24(18)19/h4-11,13-15,17H,12,16H2,1-3H3
Definition date:	2022-05-25
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide

P7L

P7L
Name:	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide
Formula:	C23 H19 Cl N2 O2 S
SMILES:	Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(OC)cc2)sc1
InChi:	InChI=1S/C23H19ClN2O2S/c1-28-20-8-6-19(7-9-20)26(14-21-11-18(24)15-29-21)23(27)10-17-13-25-12-16-4-2-3-5-22(16)17/h2-9,11-13,15H,10,14H2,1H3
Definition date:	2022-05-25
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide

P8A

P8A
Name:	5-butyl-1~{H}-pyrazole-3-carboxylic acid
Formula:	C8 H12 N2 O2
SMILES:	CCCCc1[nH]nc(c1)C(O)=O
InChi:	InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
Definition date:	2023-03-04
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	5-butyl-1~{H}-pyrazole-3-carboxylic acid

P9X

P9X
Name:	(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid
Formula:	C12 H10 O4
SMILES:	C[C]1(OC(=CC1=O)C(O)=O)c2ccccc2
InChi:	InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)/t12-/m0/s1
Synonyms:	Acifran
Definition date:	2023-03-05
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid

S6O

S6O
Name:	~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide
Formula:	C23 H27 Cl N4 O2 S
SMILES:	CN(CCN(C)c1cccc2sc(cc12)C(N)=N)C(=O)C(C)(C)Oc3ccc(Cl)cc3
InChi:	InChI=1S/C23H27ClN4O2S/c1-23(2,30-16-10-8-15(24)9-11-16)22(29)28(4)13-12-27(3)18-6-5-7-19-17(18)14-20(31-19)21(25)26/h5-11,14H,12-13H2,1-4H3,(H3,25,26)
Definition date:	2022-12-14
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide

PWI

PWI
Name:	4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine
Formula:	C18 H17 Cl2 N O
SMILES:	CNCC#CCOCc1cc(Cl)ccc1c2ccc(Cl)cc2
InChi:	InChI=1S/C18H17Cl2NO/c1-21-10-2-3-11-22-13-15-12-17(20)8-9-18(15)14-4-6-16(19)7-5-14/h4-9,12,21H,10-11,13H2,1H3
Definition date:	2023-03-08
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-~{N}-methyl-but-2-yn-1-amine

PXR

PXR
Name:	N-methyl-1-[4-[(2-phenylmethoxycyclohexa-1,3-dien-1-yl)methoxy]cyclohexa-1,3-dien-1-yl]methanamine
Formula:	C22 H27 N O2
SMILES:	CNCC1=CC=C(CC1)OCC2=C(OCc3ccccc3)C=CCC2
InChi:	InChI=1S/C22H27NO2/c1-23-15-18-11-13-21(14-12-18)24-17-20-9-5-6-10-22(20)25-16-19-7-3-2-4-8-19/h2-4,6-8,10-11,13,23H,5,9,12,14-17H2,1H3
Definition date:	2023-03-08
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	~{N}-methyl-1-[4-[(2-phenylmethoxycyclohexa-1,3-dien-1-yl)methoxy]cyclohexa-1,3-dien-1-yl]methanamine

PZ0

PZ0
Name:	1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine
Formula:	C22 H22 Cl N O2
SMILES:	CNCc1ccc(OCc2cc(Cl)ccc2OCc3ccccc3)cc1
InChi:	InChI=1S/C22H22ClNO2/c1-24-14-17-7-10-21(11-8-17)25-16-19-13-20(23)9-12-22(19)26-15-18-5-3-2-4-6-18/h2-13,24H,14-16H2,1H3
Definition date:	2023-03-08
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-~{N}-methyl-methanamine

UM6

UM6
Name:	7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
Formula:	C18 H15 Cl F N3 O
SMILES:	F[CH]1CCN(C1)C2=NC(=O)N(c3ccccc3)c4cc(Cl)ccc24
InChi:	InChI=1S/C18H15ClFN3O/c19-12-6-7-15-16(10-12)23(14-4-2-1-3-5-14)18(24)21-17(15)22-9-8-13(20)11-22/h1-7,10,13H,8-9,11H2/t13-/m1/s1
Definition date:	2023-02-07
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	7-chloranyl-4-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one

UOU

UOU
Name:	1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine
Formula:	C22 H22 Cl N O2
SMILES:	CNCc1ccc(OCc2ccccc2OCc3ccc(Cl)cc3)cc1
InChi:	InChI=1S/C22H22ClNO2/c1-24-14-17-8-12-21(13-9-17)25-16-19-4-2-3-5-22(19)26-15-18-6-10-20(23)11-7-18/h2-13,24H,14-16H2,1H3
Definition date:	2023-06-13
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-~{N}-methyl-methanamine

UZF

UZF
Name:	1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone
Formula:	C16 H15 N O S
SMILES:	SCC(=O)N1c2ccccc2CCc3ccccc13
InChi:	InChI=1S/C16H15NOS/c18-16(11-19)17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-8,19H,9-11H2
Definition date:	2023-06-30
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone

ZWY

ZWY
Name:	17-oxoandrost-5-en-3beta-yl hydrogen sulfate
Formula:	C19 H28 O5 S
SMILES:	O=S(=O)(O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
InChi:	InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
Synonyms:	Dehydroepiandrosterone sulfate
Definition date:	2023-04-17
Last modified:	2023-08-22
Release date:	2023-06-07
Identifier:	17-oxo-8alpha,10alpha,13alpha,14beta-androst-5-en-3alpha-yl hydrogen sulfate

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