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A1BTF

A1BTF
Name:	4-methyl-N~1~-(2-methylphenyl)benzene-1,3-dicarboxamide
Formula:	C16 H16 N2 O2
SMILES:	O=C(Nc1ccccc1C)c1ccc(C)c(c1)C(N)=O
InChi:	InChI=1S/C16H16N2O2/c1-10-7-8-12(9-13(10)15(17)19)16(20)18-14-6-4-3-5-11(14)2/h3-9H,1-2H3,(H2,17,19)(H,18,20)
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	4-methyl-N~1~-(2-methylphenyl)benzene-1,3-dicarboxamide

A1BTI

A1BTI
Name:	(3S)-1-[(2-methoxyphenyl)acetyl]azepane-3-carboxamide
Formula:	C16 H22 N2 O3
SMILES:	O=C(Cc1ccccc1OC)N1CCCCC(C1)C(N)=O
InChi:	InChI=1S/C16H22N2O3/c1-21-14-8-3-2-6-12(14)10-15(19)18-9-5-4-7-13(11-18)16(17)20/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H2,17,20)/t13-/m0/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-1-[(2-methoxyphenyl)acetyl]azepane-3-carboxamide

A1BTJ

A1BTJ
Name:	1-methyl-N-[2-(1-methyl-1H-imidazol-4-yl)ethyl]-1H-indazole-3-carboxamide
Formula:	C15 H17 N5 O
SMILES:	Cn1cc(nc1)CCNC(=O)c1nn(C)c2ccccc21
InChi:	InChI=1S/C15H17N5O/c1-19-9-11(17-10-19)7-8-16-15(21)14-12-5-3-4-6-13(12)20(2)18-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,21)
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	1-methyl-N-[2-(1-methyl-1H-imidazol-4-yl)ethyl]-1H-indazole-3-carboxamide

A1BTK

A1BTK
Name:	(3R)-3-{3-[(1,5-dimethyl-1H-indazol-4-yl)amino]-1H-pyrazol-1-yl}pyrrolidin-2-one
Formula:	C16 H18 N6 O
SMILES:	Cc1ccc2n(C)ncc2c1Nc1ccn(n1)C1CCNC1=O
InChi:	InChI=1S/C16H18N6O/c1-10-3-4-12-11(9-18-21(12)2)15(10)19-14-6-8-22(20-14)13-5-7-17-16(13)23/h3-4,6,8-9,13H,5,7H2,1-2H3,(H,17,23)(H,19,20)
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3R)-3-{3-[(1,5-dimethyl-1H-indazol-4-yl)amino]-1H-pyrazol-1-yl}pyrrolidin-2-one

A1D6D

A1D6D
Name:	4-(2-chloranyl-6-fluoranyl-quinazolin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
Formula:	C17 H12 Cl F N4 O2
SMILES:	COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccc(F)cc34
InChi:	InChI=1S/C17H12ClFN4O2/c1-25-10-3-5-14-13(7-10)20-15(24)8-23(14)16-11-6-9(19)2-4-12(11)21-17(18)22-16/h2-7H,8H2,1H3,(H,20,24)
Definition date:	2024-02-28
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	4-(2-chloranyl-6-fluoranyl-quinazolin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

A1D6E

A1D6E
Name:	6-fluoranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)-~{N}-methyl-quinazolin-2-amine
Formula:	C19 H19 F N4 O
SMILES:	CNc1nc2ccc(F)cc2c(n1)N3CCCc4cc(OC)ccc34
InChi:	InChI=1S/C19H19FN4O/c1-21-19-22-16-7-5-13(20)11-15(16)18(23-19)24-9-3-4-12-10-14(25-2)6-8-17(12)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,23)
Definition date:	2024-02-28
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	6-fluoranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)-~{N}-methyl-quinazolin-2-amine

A1D7B

A1D7B
Name:	~{S}-(2-acetamidoethyl) (6~{S})-6-chloranyldecanethioate
Formula:	C14 H26 Cl N O2 S
SMILES:	CCCC[CH](Cl)CCCCC(=O)SCCNC(C)=O
InChi:	InChI=1S/C14H26ClNO2S/c1-3-4-7-13(15)8-5-6-9-14(18)19-11-10-16-12(2)17/h13H,3-11H2,1-2H3,(H,16,17)/t13-/m0/s1
Definition date:	2024-03-29
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	~{S}-(2-acetamidoethyl) (6~{S})-6-chloranyldecanethioate

A1D7F

A1D7F
Name:	5-[(2~{S},7~{R})-7-chloranyl-2-methyl-octyl]benzene-1,3-diol
Formula:	C15 H23 Cl O2
SMILES:	C[CH](Cl)CCCC[CH](C)Cc1cc(O)cc(O)c1
InChi:	InChI=1S/C15H23ClO2/c1-11(5-3-4-6-12(2)16)7-13-8-14(17)10-15(18)9-13/h8-12,17-18H,3-7H2,1-2H3/t11-,12+/m0/s1
Definition date:	2024-04-02
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	5-[(2~{S},7~{R})-7-chloranyl-2-methyl-octyl]benzene-1,3-diol

A1EAP

A1EAP
Name:	3-bromanyl-5-(2-ethylimidazo[1,2-a]pyridin-3-yl)carbonyl-2-oxidanyl-benzenecarbonitrile
Formula:	C17 H12 Br N3 O2
SMILES:	CCc1nc2ccccn2c1C(=O)c3cc(Br)c(O)c(c3)C#N
InChi:	InChI=1S/C17H12BrN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3
Synonyms:	Lingdolinurad
Definition date:	2024-08-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	3-bromanyl-5-(2-ethylimidazo[1,2-a]pyridin-3-yl)carbonyl-2-oxidanyl-benzenecarbonitrile

AKR

AKR
Name:	ACRYLIC ACID
Formula:	C3 H4 O2
SMILES:	O=C(O)C=C
InChi:	InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
Definition date:	2000-11-28
Last modified:	2025-02-21
Identifier:	prop-2-enoic acid

A1L0U

A1L0U
Name:	2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid
Formula:	C9 H11 N3 O4
SMILES:	Cc1nc(C)c(O)c(n1)C(=O)NCC(O)=O
InChi:	InChI=1S/C9H11N3O4/c1-4-8(15)7(12-5(2)11-4)9(16)10-3-6(13)14/h15H,3H2,1-2H3,(H,10,16)(H,13,14)
Definition date:	2024-04-19
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid

A1L4E

A1L4E
Name:	5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
Formula:	C13 H6 F7 N O2
SMILES:	Nc1ccc(Oc2c(F)c(F)c(c(F)c2F)C(F)(F)F)c(O)c1
InChi:	InChI=1S/C13H6F7NO2/c14-8-7(13(18,19)20)9(15)11(17)12(10(8)16)23-6-2-1-4(21)3-5(6)22/h1-3,22H,21H2
Definition date:	2024-09-26
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol

A1L4F

A1L4F
Name:	5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
Formula:	C22 H23 F7 N2 O3
SMILES:	Oc1cc(NCCCCCN2CCOCC2)ccc1Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F
InChi:	InChI=1S/C22H23F7N2O3/c23-17-16(22(27,28)29)18(24)20(26)21(19(17)25)34-15-5-4-13(12-14(15)32)30-6-2-1-3-7-31-8-10-33-11-9-31/h4-5,12,30,32H,1-3,6-11H2
Definition date:	2024-09-26
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol

A1H6Z

A1H6Z
Name:	(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanal
Formula:	C8 H11 N3 O2
SMILES:	N[CH](Cc1ccc(N)nc1)C(O)=O
InChi:	InChI=1S/C8H11N3O2/c9-6(8(12)13)3-5-1-2-7(10)11-4-5/h1-2,4,6H,3,9H2,(H2,10,11)(H,12,13)/t6-/m0/s1
Definition date:	2024-03-27
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanoic acid

A1H7V

A1H7V
Name:	(2R,3S,4S,5R,6R)-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
Formula:	C18 H35 F O5
SMILES:	CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1F
InChi:	InChI=1S/C18H35FO5/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-15(19)17(22)16(21)14(13-20)24-18/h14-18,20-22H,2-13H2,1H3/t14-,15-,16-,17-,18-/m1/s1
Synonyms:	N-[1-[(2R,3R,4S,5S,6R)-3-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadecanamide
Definition date:	2024-04-05
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol

A1IHO

A1IHO
Name:	1-[3,4-bis(fluoranyl)phenyl]-9-[6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
Formula:	C21 H21 F5 N4 O2
SMILES:	Fc1ccc(cc1F)N2C(=O)CCCC23CCN(CC3)c4cc(OCC(F)(F)F)ncn4
InChi:	InChI=1S/C21H21F5N4O2/c22-15-4-3-14(10-16(15)23)30-19(31)2-1-5-20(30)6-8-29(9-7-20)17-11-18(28-13-27-17)32-12-21(24,25)26/h3-4,10-11,13H,1-2,5-9,12H2
Definition date:	2024-07-09
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	1-[3,4-bis(fluoranyl)phenyl]-9-[6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one

A1IHS

A1IHS
Name:	1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
Formula:	C24 H26 N4 O
SMILES:	O=C1CCCC2(CCN(CC2)c3cnc4ccccc4n3)N1Cc5ccccc5
InChi:	InChI=1S/C24H26N4O/c29-23-11-6-12-24(28(23)18-19-7-2-1-3-8-19)13-15-27(16-14-24)22-17-25-20-9-4-5-10-21(20)26-22/h1-5,7-10,17H,6,11-16,18H2
Definition date:	2024-07-09
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one

A1IUA

A1IUA
Name:	alpha-damascone
Formula:	C13 H20 O
SMILES:	CC=CC(=O)[CH]1C(=CCCC1(C)C)C
InChi:	InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+/t12-/m0/s1
Synonyms:	(~{E})-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Definition date:	2024-11-14
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(~{E})-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one

A1IUB

A1IUB
Name:	alpha-ionone
Formula:	C13 H20 O
SMILES:	CC(=O)C=C[CH]1C(=CCCC1(C)C)C
InChi:	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1
Synonyms:	(~{E})-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Definition date:	2024-11-14
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(~{E})-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

A1IYU

A1IYU
Name:	(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
Formula:	C18 H16 N2 O3 S
SMILES:	COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccccc3C
InChi:	InChI=1S/C18H16N2O3S/c1-11-5-3-4-6-13(11)19-18-20-17(22)16(24-18)10-12-7-8-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
Definition date:	2025-01-16
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

A1IYV

A1IYV
Name:	(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
Formula:	C18 H16 N2 O3 S
SMILES:	COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(C)c3
InChi:	InChI=1S/C18H16N2O3S/c1-11-4-3-5-13(8-11)19-18-20-17(22)16(24-18)10-12-6-7-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2025-01-16
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one

A1IYY

A1IYY
Name:	(2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
Formula:	C17 H13 F N2 O3 S
SMILES:	COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(F)c3
InChi:	InChI=1S/C17H13FN2O3S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)/b15-8-
Definition date:	2025-01-16
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one

A1IYZ

A1IYZ
Name:	(2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
Formula:	C17 H13 Cl N2 O3 S
SMILES:	COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(Cl)c3
InChi:	InChI=1S/C17H13ClN2O3S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)/b15-8-
Synonyms:	CGP 53820
Definition date:	2025-01-16
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one

3CN

3CN
Name:	3-AMINOPROPANE
Formula:	C3 H9 N
SMILES:	NCCC
InChi:	InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
Definition date:	1999-11-01
Last modified:	2025-02-19
Identifier:	propan-1-amine

C2K

C2K
Name:	(3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,18(22),19-hexaene-3-carboxamide
Formula:	C25 H23 Cl F3 N3 O4
SMILES:	FC(F)(F)c1ccc2C(=O)N[CH](Cc3ccc(OCCCCOc2c1)c(Cl)c3)C(=O)NC4(CC4)C#N
InChi:	InChI=1S/C25H23ClF3N3O4/c26-18-11-15-3-6-20(18)35-9-1-2-10-36-21-13-16(25(27,28)29)4-5-17(21)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,31,33)(H,32,34)/t19-/m0/s1
Definition date:	2017-11-08
Last modified:	2025-02-18
Release date:	2018-04-11
Identifier:	(3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,18(22),19-hexaene-3-carboxamide

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237992

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