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O6X

O6X
Name:	~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide
Formula:	C22 H22 F3 N5 O5
SMILES:	COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c4cccc(n4)[CH](O)C(F)(F)F
InChi:	InChI=1S/C22H22F3N5O5/c1-34-18-10-16-13(11-30(28-16)12-19(31)29-5-7-35-8-6-29)9-17(18)27-21(33)15-4-2-3-14(26-15)20(32)22(23,24)25/h2-4,9-11,20,32H,5-8,12H2,1H3,(H,27,33)/t20-/m1/s1
Definition date:	2022-08-30
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide

QXF

QXF
Name:	~{N}-[[5-(aminocarbamoyl)pyridin-2-yl]methyl]-~{N}-(3-chlorophenyl)methanesulfonamide
Formula:	C14 H15 Cl N4 O3 S
SMILES:	C[S](=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc(Cl)c2
InChi:	InChI=1S/C14H15ClN4O3S/c1-23(21,22)19(13-4-2-3-11(15)7-13)9-12-6-5-10(8-17-12)14(20)18-16/h2-8H,9,16H2,1H3,(H,18,20)
Definition date:	2022-11-16
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	~{N}-[[5-(aminocarbamoyl)pyridin-2-yl]methyl]-~{N}-(3-chlorophenyl)methanesulfonamide

IX8

IX8
Name:	7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
Formula:	C26 H28 N4 O2
SMILES:	C[CH](COc1ccccc1)NC(=O)c2cnc3n(ncc3c4ccc(cc4)C(C)C)c2C
InChi:	InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1
Definition date:	2022-08-01
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	7-methyl-~{N}-[(2~{R})-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

W5I

W5I
Name:	methyl (2~{R})-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate
Formula:	C10 H13 N O4
SMILES:	COC(=O)[CH](N)Cc1ccc(O)c(O)c1
InChi:	InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m1/s1
Definition date:	2023-04-28
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	methyl (2~{R})-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate

W65

W65
Name:	2,2-bis(fluoranyl)-1-phenyl-ethanone
Formula:	C8 H6 F2 O
SMILES:	FC(F)C(=O)c1ccccc1
InChi:	InChI=1S/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H
Definition date:	2023-05-09
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	2,2-bis(fluoranyl)-1-phenyl-ethanone

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

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

YDM

YDM
Name:	1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one
Formula:	C15 H17 N O
SMILES:	CCC(=O)c1ccc2cc(ccc2c1)N(C)C
InChi:	InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3
Synonyms:	acrylodan, bound form
Definition date:	2023-01-26
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one

WGE

WGE
Name:	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Formula:	C24 H33 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCC2)CN1C(=O)OCc1ccccc1
InChi:	InChI=1S/C24H33N3O5/c28-14-19(12-18-8-11-25-21(18)29)26-22(30)20-13-24(9-4-5-10-24)16-27(20)23(31)32-15-17-6-2-1-3-7-17/h1-3,6-7,18-20,28H,4-5,8-16H2,(H,25,29)(H,26,30)/t18-,19-,20-/m0/s1
Definition date:	2023-05-12
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate

YDQ

YDQ
Name:	2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one
Formula:	C14 H14 Br N O
SMILES:	BrCC(=O)c1ccc2cc(ccc2c1)N(C)C
InChi:	InChI=1S/C14H14BrNO/c1-16(2)13-6-5-10-7-12(14(17)9-15)4-3-11(10)8-13/h3-8H,9H2,1-2H3
Synonyms:	BADAN
Definition date:	2023-01-26
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one

WGI

WGI
Name:	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
Formula:	C25 H35 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCCC2)CN1C(=O)OCc1ccccc1
InChi:	InChI=1S/C25H35N3O5/c29-15-20(13-19-9-12-26-22(19)30)27-23(31)21-14-25(10-5-2-6-11-25)17-28(21)24(32)33-16-18-7-3-1-4-8-18/h1,3-4,7-8,19-21,29H,2,5-6,9-17H2,(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1
Definition date:	2023-05-12
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate

VZA

VZA
Name:	methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid
Formula:	C6 H12 N O2 P
SMILES:	C[P](O)(=O)C1=CCNCC1
InChi:	InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)
Synonyms:	1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic acid
Definition date:	2023-04-18
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid

WZK

WZK
Name:	N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
Formula:	C24 H22 Cl N3 O2 S
SMILES:	Clc1cc(CN(C(=O)Cc2cncc3cccc(O)c32)c2ccc(cc2)N(C)C)sc1
InChi:	InChI=1S/C24H22ClN3O2S/c1-27(2)19-6-8-20(9-7-19)28(14-21-11-18(25)15-31-21)23(30)10-17-13-26-12-16-4-3-5-22(29)24(16)17/h3-9,11-13,15,29H,10,14H2,1-2H3
Definition date:	2023-05-24
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide

YFK

YFK
Name:	4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
Formula:	C24 H32 N4 O4
SMILES:	COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=C
InChi:	InChI=1S/C24H32N4O4/c1-5-16(12-15-9-10-25-22(15)29)26-23(30)19(11-14(2)3)28-24(31)20-13-17-18(27-20)7-6-8-21(17)32-4/h5-8,13-16,19,27H,1,9-12H2,2-4H3,(H,25,29)(H,26,30)(H,28,31)/t15-,16+,19-/m0/s1
Definition date:	2023-01-26
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide

WIV

WIV
Name:	6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C21 H22 N6 O
SMILES:	CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4nn(C)cc4c3)C5CC5
InChi:	InChI=1S/C21H22N6O/c1-12(2)27-20-17(10-22-27)16(9-19(24-20)13-4-5-13)21(28)23-15-6-7-18-14(8-15)11-26(3)25-18/h6-13H,4-5H2,1-3H3,(H,23,28)
Definition date:	2023-05-15
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

WJL

WJL
Name:	6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C20 H20 N6 O
SMILES:	CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4[nH]ncc4c3)C5CC5
InChi:	InChI=1S/C20H20N6O/c1-11(2)26-19-16(10-22-26)15(8-18(24-19)12-3-4-12)20(27)23-14-5-6-17-13(7-14)9-21-25-17/h5-12H,3-4H2,1-2H3,(H,21,25)(H,23,27)
Definition date:	2023-05-16
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

XIB

XIB
Name:	N-[(benzyloxy)carbonyl]-L-tyrosyl-D-alanine
Formula:	C20 H22 N2 O6
SMILES:	Oc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NC(C)C(=O)O)cc1
InChi:	InChI=1S/C20H22N2O6/c1-13(19(25)26)21-18(24)17(11-14-7-9-16(23)10-8-14)22-20(27)28-12-15-5-3-2-4-6-15/h2-10,13,17,23H,11-12H2,1H3,(H,21,24)(H,22,27)(H,25,26)/t13-,17+/m1/s1
Definition date:	2022-11-21
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-[(benzyloxy)carbonyl]-L-tyrosyl-D-alanine

WK5

WK5
Name:	8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine
Formula:	C20 H18 N O4
SMILES:	COc1ccc(cc1)c2c3c(oc4ccc(OC)cc34)cc(C)[n]2O
InChi:	InChI=1S/C20H18NO4/c1-12-10-18-19(16-11-15(24-3)8-9-17(16)25-18)20(21(12)22)13-4-6-14(23-2)7-5-13/h4-11,22H,1-3H3
Definition date:	2023-05-16
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine

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

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

HX1

HX1
Name:	4-butylbenzoic acid
Formula:	C11 H14 O2
SMILES:	O=C(O)c1ccc(CCCC)cc1
InChi:	InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
Definition date:	2023-08-24
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	4-butylbenzoic acid

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

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

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222415

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