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A1BSA

A1BSA
Name:	(3S)-1-[(2-bromo-3-fluorophenyl)di(fluoro)acetyl]piperidine-3-carboxamide
Formula:	C14 H14 Br F3 N2 O2
SMILES:	O=C(N1CCCC(C1)C(N)=O)C(F)(F)c1cccc(F)c1Br
InChi:	InChI=1S/C14H14BrF3N2O2/c15-11-9(4-1-5-10(11)16)14(17,18)13(22)20-6-2-3-8(7-20)12(19)21/h1,4-5,8H,2-3,6-7H2,(H2,19,21)/t8-/m0/s1
Definition date:	2025-01-14
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-1-[(2-bromo-3-fluorophenyl)di(fluoro)acetyl]piperidine-3-carboxamide

A1BSB

A1BSB
Name:	(2S)-4-[(2-methoxyphenyl)acetyl]morpholine-2-carboxamide
Formula:	C14 H18 N2 O4
SMILES:	O=C(Cc1ccccc1OC)N1CC(OCC1)C(N)=O
InChi:	InChI=1S/C14H18N2O4/c1-19-11-5-3-2-4-10(11)8-13(17)16-6-7-20-12(9-16)14(15)18/h2-5,12H,6-9H2,1H3,(H2,15,18)/t12-/m0/s1
Definition date:	2025-01-14
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2S)-4-[(2-methoxyphenyl)acetyl]morpholine-2-carboxamide

A1BSE

A1BSE
Name:	(3S)-1-[(2H-1,3-benzodioxol-4-yl)acetyl]piperidine-3-carboxamide
Formula:	C15 H18 N2 O4
SMILES:	NC(=O)C1CCCN(C1)C(=O)Cc1cccc2OCOc12
InChi:	InChI=1S/C15H18N2O4/c16-15(19)11-4-2-6-17(8-11)13(18)7-10-3-1-5-12-14(10)21-9-20-12/h1,3,5,11H,2,4,6-9H2,(H2,16,19)/t11-/m0/s1
Definition date:	2025-01-14
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-1-[(2H-1,3-benzodioxol-4-yl)acetyl]piperidine-3-carboxamide

A1BSF

A1BSF
Name:	(3S)-1-[(2-ethylphenyl)acetyl]piperidine-3-carboxamide
Formula:	C16 H22 N2 O2
SMILES:	O=C(Cc1ccccc1CC)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C16H22N2O2/c1-2-12-6-3-4-7-13(12)10-15(19)18-9-5-8-14(11-18)16(17)20/h3-4,6-7,14H,2,5,8-11H2,1H3,(H2,17,20)/t14-/m0/s1
Definition date:	2025-01-14
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-1-[(2-ethylphenyl)acetyl]piperidine-3-carboxamide

A1BSQ

A1BSQ
Name:	1-methyl-N-[(3R)-oxolan-3-yl]-1H-indazole-3-carboxamide
Formula:	C13 H15 N3 O2
SMILES:	O=C(NC1CCOC1)c1nn(C)c2ccccc12
InChi:	InChI=1S/C13H15N3O2/c1-16-11-5-3-2-4-10(11)12(15-16)13(17)14-9-6-7-18-8-9/h2-5,9H,6-8H2,1H3,(H,14,17)/t9-/m1/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	1-methyl-N-[(3R)-oxolan-3-yl]-1H-indazole-3-carboxamide

A1BSR

A1BSR
Name:	N-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]-1-methyl-1H-indazole-3-carboxamide
Formula:	C13 H15 N3 O2
SMILES:	OCC1CC1NC(=O)c1nn(C)c2ccccc21
InChi:	InChI=1S/C13H15N3O2/c1-16-11-5-3-2-4-9(11)12(15-16)13(18)14-10-6-8(10)7-17/h2-5,8,10,17H,6-7H2,1H3,(H,14,18)/t8-,10-/m1/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	N-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]-1-methyl-1H-indazole-3-carboxamide

A1BST

A1BST
Name:	(3S)-1-[(2-aminopyridin-4-yl)acetyl]piperidine-3-carboxamide
Formula:	C13 H18 N4 O2
SMILES:	O=C(Cc1ccnc(N)c1)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C13H18N4O2/c14-11-6-9(3-4-16-11)7-12(18)17-5-1-2-10(8-17)13(15)19/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16)(H2,15,19)/t10-/m0/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-1-[(2-aminopyridin-4-yl)acetyl]piperidine-3-carboxamide

A1BSU

A1BSU
Name:	(3S)-N~1~-[2-methoxy-6-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide
Formula:	C15 H21 N3 O3 S
SMILES:	O=C(Nc1c(OC)cccc1SC)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C15H21N3O3S/c1-21-11-6-3-7-12(22-2)13(11)17-15(20)18-8-4-5-10(9-18)14(16)19/h3,6-7,10H,4-5,8-9H2,1-2H3,(H2,16,19)(H,17,20)/t10-/m0/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-N~1~-[2-methoxy-6-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide

A1BSY

A1BSY
Name:	(3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide
Formula:	C15 H18 N4 O3
SMILES:	O=C(Nc1cc(C#N)ccc1OC)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C15H18N4O3/c1-22-13-5-4-10(8-16)7-12(13)18-15(21)19-6-2-3-11(9-19)14(17)20/h4-5,7,11H,2-3,6,9H2,1H3,(H2,17,20)(H,18,21)/t11-/m0/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide

A1BSZ

A1BSZ
Name:	(3S)-1-[(5-bromo-2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide
Formula:	C14 H18 Br N3 O3
SMILES:	O=C(Cc1cc(Br)cnc1OC)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C14H18BrN3O3/c1-21-14-10(5-11(15)7-17-14)6-12(19)18-4-2-3-9(8-18)13(16)20/h5,7,9H,2-4,6,8H2,1H3,(H2,16,20)/t9-/m0/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-1-[(5-bromo-2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide

A1BTB

A1BTB
Name:	(3S)-N~1~-(3-methylphenyl)-N~1~-[2-oxo-2-(piperidin-1-yl)ethyl]piperidine-1,3-dicarboxamide
Formula:	C21 H30 N4 O3
SMILES:	O=C(N(CC(=O)N1CCCCC1)c1cc(C)ccc1)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C21H30N4O3/c1-16-7-5-9-18(13-16)25(15-19(26)23-10-3-2-4-11-23)21(28)24-12-6-8-17(14-24)20(22)27/h5,7,9,13,17H,2-4,6,8,10-12,14-15H2,1H3,(H2,22,27)/t17-/m0/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-N~1~-(3-methylphenyl)-N~1~-[2-oxo-2-(piperidin-1-yl)ethyl]piperidine-1,3-dicarboxamide

A1BTC

A1BTC
Name:	(2S)-4-[(2-methoxyphenyl)acetyl]piperazine-2-carboxamide
Formula:	C14 H19 N3 O3
SMILES:	O=C(Cc1ccccc1OC)N1CC(NCC1)C(N)=O
InChi:	InChI=1S/C14H19N3O3/c1-20-12-5-3-2-4-10(12)8-13(18)17-7-6-16-11(9-17)14(15)19/h2-5,11,16H,6-9H2,1H3,(H2,15,19)/t11-/m0/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2S)-4-[(2-methoxyphenyl)acetyl]piperazine-2-carboxamide

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

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

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

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

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