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5V9

5V9
Name:	~{N}-[(4-thiophen-3-ylphenyl)methyl]cyclohexanamine
Formula:	C17 H21 N S
SMILES:	C1CCC(CC1)NCc2ccc(cc2)c3cscc3
InChi:	InChI=1S/C17H21NS/c1-2-4-17(5-3-1)18-12-14-6-8-15(9-7-14)16-10-11-19-13-16/h6-11,13,17-18H,1-5,12H2
Definition date:	2015-12-07
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	~{N}-[(4-thiophen-3-ylphenyl)methyl]cyclohexanamine

6XP

6XP
Name:	(2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide
Formula:	C18 H18 Cl N3 O3
SMILES:	Clc1ccc(c2c1C(C(=O)N2)NNC(=O)C(c3ccc(O)cc3)C)C
InChi:	InChI=1S/C18H18ClN3O3/c1-9-3-8-13(19)14-15(9)20-18(25)16(14)21-22-17(24)10(2)11-4-6-12(23)7-5-11/h3-8,10,16,21,23H,1-2H3,(H,20,25)(H,22,24)/t10-,16?/m0/s1
Definition date:	2011-08-31
Last modified:	2024-09-06
Identifier:	(2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide

A1A1W

A1A1W
Name:	N-{[(2R)-4-(bicyclo[1.1.1]pentan-1-yl)-5-oxomorpholin-2-yl]methyl}-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
Formula:	C21 H23 F3 N2 O3
SMILES:	O=C1COC(CN1C12CC(C1)C2)CNC(=O)C1(CC1)c1ccc(cc1)C(F)(F)F
InChi:	InChI=1S/C21H23F3N2O3/c22-21(23,24)15-3-1-14(2-4-15)20(5-6-20)18(28)25-10-16-11-26(17(27)12-29-16)19-7-13(8-19)9-19/h1-4,13,16H,5-12H2,(H,25,28)/t13-,16-,19-/m1/s1
Definition date:	2024-08-13
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	N-{[(2R)-4-(bicyclo[1.1.1]pentan-1-yl)-5-oxomorpholin-2-yl]methyl}-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

A1A2A

A1A2A
Name:	1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide
Formula:	C24 H25 Cl N2 O3
SMILES:	O=C1COC(CN1C1Cc2ccccc2C1)CNC(=O)C1(CC1)c1ccc(Cl)cc1
InChi:	InChI=1S/C24H25ClN2O3/c25-19-7-5-18(6-8-19)24(9-10-24)23(29)26-13-21-14-27(22(28)15-30-21)20-11-16-3-1-2-4-17(16)12-20/h1-8,20-21H,9-15H2,(H,26,29)/t21-/m1/s1
Definition date:	2024-08-15
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide

A1H2J

A1H2J
Name:	6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
Formula:	C16 H14 Cl2 N6 O4
SMILES:	CC(C)C1=CC(=NNC1=O)Oc2c(Cl)cc(cc2Cl)N3N=C(N)C(=O)NC3=O
InChi:	InChI=1S/C16H14Cl2N6O4/c1-6(2)8-5-11(21-22-14(8)25)28-12-9(17)3-7(4-10(12)18)24-16(27)20-15(26)13(19)23-24/h3-6H,1-2H3,(H2,19,23)(H,22,25)(H,20,26,27)
Definition date:	2024-01-19
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione

A1IDA

A1IDA
Name:	5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine
Formula:	C16 H12 N4 S
SMILES:	Cn1ccc(n1)c2ccc3scc(c4ccncc4)c3n2
InChi:	InChI=1S/C16H12N4S/c1-20-9-6-14(19-20)13-2-3-15-16(18-13)12(10-21-15)11-4-7-17-8-5-11/h2-10H,1H3
Definition date:	2024-06-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine

A1IDB

A1IDB
Name:	5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine
Formula:	C16 H12 N4 S
SMILES:	Cn1cc(cn1)c2ccc3scc(c4ccncc4)c3n2
InChi:	InChI=1S/C16H12N4S/c1-20-9-12(8-18-20)14-2-3-15-16(19-14)13(10-21-15)11-4-6-17-7-5-11/h2-10H,1H3
Definition date:	2024-06-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine

A1IDF

A1IDF
Name:	~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine
Formula:	C17 H15 N5 S
SMILES:	Cn1cc(C)c(Nc2ccc3scc(c4ccncc4)c3n2)n1
InChi:	InChI=1S/C17H15N5S/c1-11-9-22(2)21-17(11)20-15-4-3-14-16(19-15)13(10-23-14)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,20,21)
Definition date:	2024-06-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine

A1IE9

A1IE9
Name:	4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride
Formula:	C18 H20 F N5 O3 S
SMILES:	F[S](=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)cc1
InChi:	InChI=1S/C18H20FN5O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,20,21,22,23,24)
Definition date:	2024-06-19
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride

A1L13

A1L13
Name:	~{N},~{N}-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
Formula:	C16 H16 N2 S
SMILES:	CN(C)c1ccc(cc1)c2sc3cc(C)ccc3n2
InChi:	InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3
Definition date:	2024-05-27
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	~{N},~{N}-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

A1LZT

A1LZT
Name:	4-[4-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]benzoic acid
Formula:	C22 H24 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc2ccc(cc2)c3ccc(cc3)C(O)=O
InChi:	InChI=1S/C22H24N4O4/c1-2-18-19(20(23)26-22(24)25-18)30-13-3-12-29-17-10-8-15(9-11-17)14-4-6-16(7-5-14)21(27)28/h4-11H,2-3,12-13H2,1H3,(H,27,28)(H4,23,24,25,26)
Definition date:	2024-03-28
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	4-[4-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]benzoic acid

A1AVN

A1AVN
Name:	1-[3-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one
Formula:	C10 H13 N O S
SMILES:	NCCc1cccc(c1)C(=O)CS
InChi:	InChI=1S/C10H13NOS/c11-5-4-8-2-1-3-9(6-8)10(12)7-13/h1-3,6,13H,4-5,7,11H2
Definition date:	2024-06-20
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	1-[3-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one

A1AVQ

A1AVQ
Name:	1-[4-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one
Formula:	C10 H13 N O S
SMILES:	NCCc1ccc(cc1)C(=O)CS
InChi:	InChI=1S/C10H13NOS/c11-6-5-8-1-3-9(4-2-8)10(12)7-13/h1-4,13H,5-7,11H2
Definition date:	2024-06-20
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	1-[4-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one

A1AVR

A1AVR
Name:	1-[3-(aminomethyl)phenyl]-2-sulfanylethan-1-one
Formula:	C9 H11 N O S
SMILES:	NCc1cccc(c1)C(=O)CS
InChi:	InChI=1S/C9H11NOS/c10-5-7-2-1-3-8(4-7)9(11)6-12/h1-4,12H,5-6,10H2
Definition date:	2024-06-20
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	1-[3-(aminomethyl)phenyl]-2-sulfanylethan-1-one

A1D7Y

A1D7Y
Name:	2-methoxy-6-methyl-benzene-1,4-diol
Formula:	C8 H10 O3
SMILES:	COc1cc(O)cc(C)c1O
InChi:	InChI=1S/C8H10O3/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4,9-10H,1-2H3
Synonyms:	62AA03E1HR
Definition date:	2024-04-19
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-methoxy-6-methyl-benzene-1,4-diol

A1D7Z

A1D7Z
Name:	2,3,5-trimethylbenzene-1,4-diol
Formula:	C9 H12 O2
SMILES:	Cc1cc(O)c(C)c(C)c1O
InChi:	InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
Synonyms:	Trimethylhydroquinone
Definition date:	2024-04-19
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2,3,5-trimethylbenzene-1,4-diol

A1D82

A1D82
Name:	2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide
Formula:	C24 H26 N4 O3
SMILES:	Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccnc(c3)N4CCOCC4
InChi:	InChI=1S/C24H26N4O3/c1-14-3-4-20(29)15(2)22(14)18-11-17(12-19(23(18)25)24(26)30)16-5-6-27-21(13-16)28-7-9-31-10-8-28/h3-6,11-13,29H,7-10,25H2,1-2H3,(H2,26,30)
Definition date:	2024-06-11
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide

A1D83

A1D83
Name:	2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide
Formula:	C20 H19 N3 O2
SMILES:	Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccncc3
InChi:	InChI=1S/C20H19N3O2/c1-11-3-4-17(24)12(2)18(11)15-9-14(13-5-7-23-8-6-13)10-16(19(15)21)20(22)25/h3-10,24H,21H2,1-2H3,(H2,22,25)
Definition date:	2024-06-11
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide

A1D85

A1D85
Name:	2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide
Formula:	C25 H29 N5 O2
SMILES:	Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccnc(c3)N4CCCNCC4
InChi:	InChI=1S/C25H29N5O2/c1-15-4-5-21(31)16(2)23(15)19-12-18(13-20(24(19)26)25(27)32)17-6-8-29-22(14-17)30-10-3-7-28-9-11-30/h4-6,8,12-14,28,31H,3,7,9-11,26H2,1-2H3,(H2,27,32)
Definition date:	2024-06-11
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide

A1D9Y

A1D9Y
Name:	(2~{S})-2-[(~{S})-(2-ethoxyphenoxy)-phenyl-methyl]morpholine
Formula:	C19 H23 N O3
SMILES:	CCOc1ccccc1O[CH]([CH]2CNCCO2)c3ccccc3
InChi:	InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1
Synonyms:	Esreboxetine
Definition date:	2024-07-15
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	(2~{S})-2-[(~{S})-(2-ethoxyphenoxy)-phenyl-methyl]morpholine

A1EBA

A1EBA
Name:	4-oxidanylidene-4-phenyl-butanoic acid
Formula:	C10 H10 O3
SMILES:	OC(=O)CCC(=O)c1ccccc1
InChi:	InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
Definition date:	2024-09-02
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	4-oxidanylidene-4-phenyl-butanoic acid

GND

GND
Name:	2-AMINO-5-GUANIDINO-PENTANOIC ACID
Formula:	C6 H15 N4 O2
SMILES:	O=C(O)C(CCCNC(=[N@H])N)[NH3+]
InChi:	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
Synonyms:	L-argininium(2+)
Definition date:	2003-01-17
Last modified:	2024-09-05
Identifier:	(1S)-4-carbamimidamido-1-carboxybutan-1-aminium

4AI

4AI
Name:	(3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Formula:	C33 H44 N6 O4
SMILES:	NC(=N)NCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC4CCCCC4
InChi:	InChI=1S/C33H44N6O4/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36)/t27-,28-/m0/s1
Synonyms:	PS372424
Definition date:	2023-01-05
Last modified:	2024-09-02
Release date:	2023-11-29
Identifier:	(3~{S})-~{N}-[(2~{S})-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide

YD9

YD9
Name:	(7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
Formula:	C20 H16 F2 N6 O3
SMILES:	Fc1cc(cc(F)c1O)Nc1ncc2N(Cc3ccno3)C(=O)C(C)N(CC#C)c2n1
InChi:	InChI=1S/C20H16F2N6O3/c1-3-6-27-11(2)19(30)28(10-13-4-5-24-31-13)16-9-23-20(26-18(16)27)25-12-7-14(21)17(29)15(22)8-12/h1,4-5,7-9,11,29H,6,10H2,2H3,(H,23,25,26)/t11-/m0/s1
Definition date:	2023-12-01
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	(7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one

VNG

VNG
Name:	N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide
Formula:	C15 H12 N4 O2 S
SMILES:	O=C(Nc1cc(ccn1)c2sc(cc2)c3nocn3)C4CC4
InChi:	InChI=1S/C15H12N4O2S/c20-15(9-1-2-9)18-13-7-10(5-6-16-13)11-3-4-12(22-11)14-17-8-21-19-14/h3-9H,1-2H2,(H,16,18,20)
Definition date:	2023-09-14
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	~{N}-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide

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