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TJL

TJL
Name:	4-(1,2,4-oxadiazol-5-yl)aniline
Formula:	C8 H7 N3 O
SMILES:	Nc1ccc(cc1)c1ncno1
InChi:	InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-(1,2,4-oxadiazol-5-yl)aniline

TJX

TJX
Name:	1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine
Formula:	C8 H9 N3
SMILES:	NCc1cc2nccn2cc1
InChi:	InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine

SQT

SQT
Name:	6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
Formula:	C16 H19 N5
SMILES:	N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1
InChi:	InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide

TKM

TKM
Name:	1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid
Formula:	C9 H12 N2 O3
SMILES:	O=C(O)c1ccnn1C1CCOCC1
InChi:	InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid

TZ9

TZ9
Name:	6,8-bis(fluoranyl)chromene
Formula:	C9 H6 F2 O
SMILES:	Fc1cc(F)c2OCC=Cc2c1
InChi:	InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	6,8-difluoro-2H-1-benzopyran

TZR

TZR
Name:	1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one
Formula:	C13 H17 N O2
SMILES:	OCC1CN(CC1c1ccccc1)C(=O)C
InChi:	InChI=1S/C13H17NO2/c1-10(16)14-7-12(9-15)13(8-14)11-5-3-2-4-6-11/h2-6,12-13,15H,7-9H2,1H3/t12-,13+/m1/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one

TM0

TM0
Name:	(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine
Formula:	C11 H13 N3 O
SMILES:	CC(N)c1nc(Cc2ccccc2)no1
InChi:	InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine

K7L

K7L
Name:	(4S)-imidazo[1,2-a]pyrimidine-5,7-diol
Formula:	C6 H5 N3 O2
SMILES:	Oc1nc2nccn2c(O)c1
InChi:	InChI=1S/C6H5N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3,11H,(H,7,8,10)
Definition date:	2023-08-10
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(4S)-imidazo[1,2-a]pyrimidine-5,7-diol

E7J

E7J
Name:	4-(4-oxidanylbutoxycarbonyl)benzoic acid
Formula:	C12 H14 O5
SMILES:	OCCCCOC(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)
Definition date:	2023-06-14
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-(4-oxidanylbutoxycarbonyl)benzoic acid

EMX

EMX
Name:	4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid
Formula:	C20 H18 O8
SMILES:	OC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccc(cc2)C(O)=O
InChi:	InChI=1S/C20H18O8/c21-17(22)13-3-7-15(8-4-13)19(25)27-11-1-2-12-28-20(26)16-9-5-14(6-10-16)18(23)24/h3-10H,1-2,11-12H2,(H,21,22)(H,23,24)
Synonyms:	4,4'-((Butane-1,4-diylbis(oxy))bis(carbonyl))dibenzoic acid
Definition date:	2023-06-15
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid

FI6

FI6
Name:	N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide
Formula:	C32 H28 F3 N5 O4
SMILES:	CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5
InChi:	InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
Synonyms:	(+/-)-AMG 487
Definition date:	2023-07-20
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide

43I

43I
Name:	3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide
Formula:	C23 H31 Cl2 N7 O
SMILES:	CC[CH]1CN(CCN1C2CCN(CC2)Cc3ccc(Cl)cc3)c4nc(N)c(nc4Cl)C(N)=O
InChi:	InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1
Definition date:	2023-01-04
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	3-azanyl-6-chloranyl-5-[(3~{S})-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide

4IE

4IE
Name:	[4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium
Formula:	C25 H31 Br N
SMILES:	CC1(C)[CH]2CC=C(C[N+](C)(C)Cc3ccc(cc3)c4ccccc4Br)[CH]1C2
InChi:	InChI=1S/C25H31BrN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1
Synonyms:	VUF11222
Definition date:	2023-01-05
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	[4-(2-bromophenyl)phenyl]methyl-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium

9MF

9MF
Name:	methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate
Formula:	C20 H21 F N2 O2
SMILES:	COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2
InChi:	InChI=1S/C20H21FN2O2/c1-5-10-23(13-16-6-8-17(21)9-7-16)18-11-14(2)19(15(3)12-18)22-20(24)25-4/h1,6-9,11-12H,10,13H2,2-4H3,(H,22,24)
Synonyms:	HN37
Definition date:	2023-04-12
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	methyl ~{N}-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate

QTI

QTI
Name:	3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide
Formula:	C21 H22 F N3 O4 S3
SMILES:	N[S](=O)(=O)c1cccc(c1)[S](=O)(=O)N2CCN(CC2)Cc3sc(cc3)c4ccccc4F
InChi:	InChI=1S/C21H22FN3O4S3/c22-20-7-2-1-6-19(20)21-9-8-16(30-21)15-24-10-12-25(13-11-24)32(28,29)18-5-3-4-17(14-18)31(23,26)27/h1-9,14H,10-13,15H2,(H2,23,26,27)
Definition date:	2022-11-14
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide

ZJ9

ZJ9
Name:	~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide
Formula:	C22 H21 N3 O4
SMILES:	CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[CH]3CCc4ccccc34
InChi:	InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1
Definition date:	2023-06-26
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide

ZJF

ZJF
Name:	~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide
Formula:	C15 H17 N3 O2
SMILES:	Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3
InChi:	InChI=1S/C15H17N3O2/c19-13-7-3-6-12(8-13)18-9-14(16-10-18)15(20)17-11-4-1-2-5-11/h3,6-11,19H,1-2,4-5H2,(H,17,20)
Definition date:	2023-06-26
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide

U42

U42
Name:	[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate
Formula:	C61 H96 O7
SMILES:	CCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C61H96O7/c1-12-13-14-15-16-17-18-19-20-21-22-23-41-55(62)66-46-54-56(63)57(64)58(65)59(67-54)68-61(10,11)45-29-39-50(5)37-27-36-49(4)35-26-33-47(2)31-24-25-32-48(3)34-28-38-51(6)42-43-53-52(7)40-30-44-60(53,8)9/h24-28,31-38,42-43,54,56-59,63-65H,12-23,29-30,39-41,44-46H2,1-11H3/b25-24+,33-26+,34-28+,36-27+,43-42+,47-31+,48-32+,49-35+,50-37+,51-38+/t54-,56-,57+,58-,59-/m1/s1
Definition date:	2023-05-15
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate

W7R

W7R
Name:	2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide
Formula:	C27 H27 N5 O3
SMILES:	C[CH]1CN(CCO1)Cc2ccccc2C(=O)N[CH]3N=C(c4ccccc4)c5ccncc5NC3=O
InChi:	InChI=1S/C27H27N5O3/c1-18-16-32(13-14-35-18)17-20-9-5-6-10-21(20)26(33)31-25-27(34)29-23-15-28-12-11-22(23)24(30-25)19-7-3-2-4-8-19/h2-12,15,18,25H,13-14,16-17H2,1H3,(H,29,34)(H,31,33)/t18-,25+/m0/s1
Definition date:	2023-09-27
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide

UIW

UIW
Name:	5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
Formula:	C21 H18 Br F N4 O2
SMILES:	Fc1cc(cc(Br)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC
InChi:	InChI=1S/C21H18BrFN4O2/c1-12-5-3-4-6-17(12)26-19-18(9-14(11-25-19)20(28)24-2)27-21(29)13-7-15(22)10-16(23)8-13/h3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29)
Definition date:	2023-09-05
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide

W89

W89
Name:	2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
Formula:	C27 H26 N4 O3
SMILES:	O=C1Nc2ccccc2C(=N[CH]1NC(=O)c3ccccc3CN4CCOCC4)c5ccccc5
InChi:	InChI=1S/C27H26N4O3/c32-26(21-11-5-4-10-20(21)18-31-14-16-34-17-15-31)30-25-27(33)28-23-13-7-6-12-22(23)24(29-25)19-8-2-1-3-9-19/h1-13,25H,14-18H2,(H,28,33)(H,30,32)/t25-/m1/s1
Definition date:	2023-09-27
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

OVR

OVR
Name:	(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
Formula:	C17 H23 N O4
SMILES:	CN1C2CC(CC1C(O)C2)OC(=O)C(CO)c1ccccc1
InChi:	InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1
Definition date:	2022-05-18
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate

UJC

UJC
Name:	(1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide
Formula:	C25 H19 F4 N3 O3
SMILES:	FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c21)c1ccccc1C)C(=O)NC
InChi:	InChI=1S/C25H19F4N3O3/c1-12-5-3-4-6-17(12)21-20-18(24(35)32-21)9-14(22(33)30-2)10-19(20)31-23(34)13-7-15(25(27,28)29)11-16(26)8-13/h3-11,21H,1-2H3,(H,30,33)(H,31,34)(H,32,35)/t21-/m0/s1
Definition date:	2023-09-05
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	(1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide

OW0

OW0
Name:	(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate
Formula:	C17 H21 N O4
SMILES:	OCC(c1ccccc1)C(=O)OC1CC2N(C)C(C1)C1OC21
InChi:	InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1
Definition date:	2022-05-18
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate

VSN

VSN
Name:	5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine
Formula:	C10 H15 N5 O10 P2 S
SMILES:	OP(O)(=S)OP(=O)(O)OCC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O
InChi:	InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	2023-09-16
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine

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