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IJT
IJT
Name:2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline
Formula:C20 H18 N4 O
SMILES:Cn1cc(nc1COc1nc2ccccc2nc1C)c1ccccc1
InChi:InChI=1S/C20H18N4O/c1-14-20(23-17-11-7-6-10-16(17)21-14)25-13-19-22-18(12-24(19)2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
Definition date:2022-01-26
Last modified:2025-07-25
Release date:2022-10-12
Identifier:2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline
IJW
IJW
Name:6-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
Formula:C23 H25 N5 O3
SMILES:O=C(NC1CCOC1)c1nc(cnc1OCc1nc(cn1C)c1ccccc1)C1CC1
InChi:InChI=1S/C23H25N5O3/c1-28-12-19(15-5-3-2-4-6-15)26-20(28)14-31-23-21(22(29)25-17-9-10-30-13-17)27-18(11-24-23)16-7-8-16/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)/t17-/m0/s1
Definition date:2022-01-26
Last modified:2025-07-25
Release date:2022-10-12
Identifier:6-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
IK6
IK6
Name:5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide
Formula:C21 H19 N7 O2
SMILES:O=C(Nc1ccn2cc(nc2n1)c1ccccc1)c1cnn(C)c1C(=O)N1CCC1
InChi:InChI=1S/C21H19N7O2/c1-26-18(20(30)27-9-5-10-27)15(12-22-26)19(29)24-17-8-11-28-13-16(23-21(28)25-17)14-6-3-2-4-7-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,24,25,29)
Definition date:2022-01-26
Last modified:2025-07-25
Release date:2022-10-12
Identifier:5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide
ILZ
ILZ
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
Formula:C21 H24 N6 O2
SMILES:O=C(c1cnn(C)c1C(=O)NCCc1nc(cn1C)c1ccccc1)N1CCC1
InChi:InChI=1S/C21H24N6O2/c1-25-14-17(15-7-4-3-5-8-15)24-18(25)9-10-22-20(28)19-16(13-23-26(19)2)21(29)27-11-6-12-27/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,22,28)
Definition date:2022-01-26
Last modified:2025-07-25
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
H81
H81
Name:N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-ynamide
Formula:C21 H28 N6 O3
SMILES:c21cc(OCCN)c(cc1c(nc(n2)N3CCCC3)NCCCNC(C#C)=O)OC
InChi:InChI=1S/C21H28N6O3/c1-3-19(28)23-8-6-9-24-20-15-13-17(29-2)18(30-12-7-22)14-16(15)25-21(26-20)27-10-4-5-11-27/h1,13-14H,4-12,22H2,2H3,(H,23,28)(H,24,25,26)
Definition date:2018-06-14
Last modified:2025-07-25
Release date:2025-07-30
Identifier:N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-ynamide
JXI
JXI
Name:1-methyl-6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:C18 H16 N6 O
SMILES:Cn1cc(nc1/C=C/C1=Nc2c(cnn2C)C(=O)N1)c1ccccc1
InChi:InChI=1S/C18H16N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-11H,1-2H3,(H,21,22,25)/b9-8+
Definition date:2022-02-02
Last modified:2025-07-25
Release date:2022-10-12
Identifier:1-methyl-6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
K4L
K4L
Name:5-(2-phenylethyl)[3,4'-bipyridin]-6(1H)-one
Formula:C18 H16 N2 O
SMILES:O=C1NC=C(C=C1CCc1ccccc1)c1ccncc1
InChi:InChI=1S/C18H16N2O/c21-18-16(7-6-14-4-2-1-3-5-14)12-17(13-20-18)15-8-10-19-11-9-15/h1-5,8-13H,6-7H2,(H,20,21)
Definition date:2022-02-02
Last modified:2025-07-25
Release date:2022-10-12
Identifier:5-(2-phenylethyl)[3,4'-bipyridin]-6(1H)-one
K4U
K4U
Name:6-cyclopropyl-N-{4-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
Formula:C21 H24 N8 O S
SMILES:O=C(Nc1nc(CN2CCCCC2)cs1)c1nc(cnc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C21H24N8OS/c30-20(28-21-26-16(12-31-21)11-29-6-2-1-3-7-29)18-19(25-15-8-22-13-23-9-15)24-10-17(27-18)14-4-5-14/h8-10,12-14H,1-7,11H2,(H,24,25)(H,26,28,30)
Definition date:2022-02-03
Last modified:2025-07-25
Release date:2022-10-12
Identifier:6-cyclopropyl-N-{4-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
A1B9Y
A1B9Y
Name:4,4'-(thiophene-2,5-diyl)dibenzoic acid
Formula:C18 H12 O4 S
SMILES:O=C(O)c1ccc(cc1)c1ccc(s1)c1ccc(cc1)C(=O)O
InChi:InChI=1S/C18H12O4S/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H,19,20)(H,21,22)
Definition date:2025-04-15
Last modified:2025-07-25
Release date:2025-07-30
Identifier:4,4'-(thiophene-2,5-diyl)dibenzoic acid
A1B9Z
A1B9Z
Name:2,2'-[thiophene-2,5-diyldi(4,1-phenylene)]diacetic acid
Formula:C20 H16 O4 S
SMILES:O=C(O)Cc1ccc(cc1)c1ccc(s1)c1ccc(CC(=O)O)cc1
InChi:InChI=1S/C20H16O4S/c21-19(22)11-13-1-5-15(6-2-13)17-9-10-18(25-17)16-7-3-14(4-8-16)12-20(23)24/h1-10H,11-12H2,(H,21,22)(H,23,24)
Definition date:2025-04-15
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2,2'-[thiophene-2,5-diyldi(4,1-phenylene)]diacetic acid
A1BZF
A1BZF
Name:N-{3-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1-phenylbut-1-en-2-yl]phenyl}-N'-[(3R)-oxolan-3-yl]sulfuric diamide
Formula:C30 H37 N3 O4 S
SMILES:O=S(=O)(NC1CCOC1)Nc1cc(ccc1)C(/CC)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1
InChi:InChI=1S/C30H37N3O4S/c1-4-29(25-11-8-12-26(21-25)31-38(34,35)32-27-17-19-36-22-27)30(23-9-6-5-7-10-23)24-13-15-28(16-14-24)37-20-18-33(2)3/h5-16,21,27,31-32H,4,17-20,22H2,1-3H3/b30-29-/t27-/m1/s1
Definition date:2025-03-06
Last modified:2025-07-25
Release date:2025-07-30
Identifier:N-{3-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1-phenylbut-1-en-2-yl]phenyl}-N'-[(3R)-oxolan-3-yl]sulfuric diamide
A1CDA
A1CDA
Name:(2E)-2-(hydroxyimino)-N-{3-[(3R)-3-(2-{[(2E)-2-(hydroxyimino)acetyl]amino}ethyl)piperidin-1-yl]propyl}acetamide
Formula:C14 H25 N5 O4
SMILES:ON=CC(=O)NCCC1CCCN(CCCNC(=O)C=NO)C1
InChi:InChI=1S/C14H25N5O4/c20-13(9-17-22)15-5-2-8-19-7-1-3-12(11-19)4-6-16-14(21)10-18-23/h9-10,12,22-23H,1-8,11H2,(H,15,20)(H,16,21)/b17-9+,18-10+/t12-/m1/s1
Definition date:2025-05-19
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(2E)-2-(hydroxyimino)-N-{3-[(3R)-3-(2-{[(2E)-2-(hydroxyimino)acetyl]amino}ethyl)piperidin-1-yl]propyl}acetamide
A1CG9
A1CG9
Name:(4R)-8-bromo-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
Formula:C18 H14 Br N3 O
SMILES:Cc1ccccc1Nc1n2cccc(Br)c2nc1c1ccco1
InChi:InChI=1S/C18H14BrN3O/c1-12-6-2-3-8-14(12)20-18-16(15-9-5-11-23-15)21-17-13(19)7-4-10-22(17)18/h2-11,20H,1H3
Definition date:2025-06-19
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(4R)-8-bromo-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
A1CI0
A1CI0
Name:(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide
Formula:C27 H26 Cl2 F2 N4 O4
SMILES:O=C(NC(CC(N)=O)c1ccc(F)c(Cl)c1)c1c[NH]c(/C=C/C(=O)NCCCOC)c1c1ccc(Cl)cc1F
InChi:InChI=1S/C27H26Cl2F2N4O4/c1-39-10-2-9-33-25(37)8-7-22-26(17-5-4-16(28)12-21(17)31)18(14-34-22)27(38)35-23(13-24(32)36)15-3-6-20(30)19(29)11-15/h3-8,11-12,14,23,34H,2,9-10,13H2,1H3,(H2,32,36)(H,33,37)(H,35,38)/b8-7+/t23-/m0/s1
Definition date:2025-07-22
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide
A1CIU
A1CIU
Name:N-(5-methylnaphthalen-1-yl)pyridin-4-amine
Formula:C16 H14 N2
SMILES:Cc1cccc2c(cccc21)Nc1ccncc1
InChi:InChI=1S/C16H14N2/c1-12-4-2-6-15-14(12)5-3-7-16(15)18-13-8-10-17-11-9-13/h2-11H,1H3,(H,17,18)
Definition date:2025-07-16
Last modified:2025-07-25
Release date:2025-07-30
Identifier:N-(5-methylnaphthalen-1-yl)pyridin-4-amine
A1EAB
A1EAB
Name:2-[(3-cyanophenyl)methyl]-5,5-dimethyl-hexa-2,3-dienamide
Formula:C16 H18 N2 O
SMILES:CC(C)(C)[CH]=[C]=[C](Cc1cccc(c1)C#N)C(N)=O
InChi:InChI=1S/C16H18N2O/c1-16(2,3)8-7-14(15(18)19)10-12-5-4-6-13(9-12)11-17/h4-6,8-9H,10H2,1-3H3,(H2,18,19)/t7-/m0/s1
Definition date:2024-07-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-[(3-cyanophenyl)methyl]-5,5-dimethyl-hexa-2,3-dienamide
A1EAX
A1EAX
Name:(2~{S},3~{R},4~{S},5~{R},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-oxane-2,3,4-triol
Formula:C13 H23 N O8
SMILES:C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O
InChi:InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7+,8-,9+,10+,11+,12-,13+/m1/s1
Definition date:2024-08-16
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(2~{S},3~{R},4~{S},5~{R},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-oxane-2,3,4-triol
A1ECQ
A1ECQ
Name:(5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(1~{H}-indazol-5-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Formula:C29 H27 N3 O7
SMILES:COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](Nc4ccc5[nH]ncc5c4)c6cc7OCOc7cc26
InChi:InChI=1S/C29H27N3O7/c1-34-23-7-14(8-24(35-2)28(23)36-3)25-17-9-21-22(39-13-38-21)10-18(17)27(19-12-37-29(33)26(19)25)31-16-4-5-20-15(6-16)11-30-32-20/h4-11,19,25-27,31H,12-13H2,1-3H3,(H,30,32)/t19-,25+,26-,27+/m0/s1
Definition date:2024-10-01
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(1~{H}-indazol-5-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
LHV
LHV
Name:(2S)-2-hydroxy-3-methylbutanoic acid
Formula:C5 H10 O3
SMILES:O=C(O)C(O)C(C)C
InChi:InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1
Definition date:2012-10-16
Last modified:2025-07-23
Release date:2016-04-20
Identifier:(2S)-2-hydroxy-3-methylbutanoic acid
NOT
NOT
Name:6-Azido-L-lysine
Formula:C6 H12 N4 O2
SMILES:[N-]=[N+]=N/CCCCC(N)C(=O)O
InChi:InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1
Synonyms:(S)-2-Amino-6-azidohexanoic acid
Definition date:2009-05-08
Last modified:2025-07-23
Identifier:6-azido-L-norleucine
Q75
Q75
Name:Thiazole-histidine
Formula:C6 H8 N2 O2 S
SMILES:N[CH](Cc1scnc1)C(O)=O
InChi:InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
Synonyms:(2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid
Definition date:2020-05-26
Last modified:2025-07-23
Release date:2021-04-28
Identifier:(2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid
32S
32S
Name:6-Seleno-tryptophan
Formula:C9 H10 N2 O2 Se
SMILES:O=C(O)C(N)Cc2c1[se]ccc1nc2
InChi:InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Synonyms:(S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Definition date:2003-12-30
Last modified:2025-07-23
Identifier:3-(4H-selenopheno[3,2-b]pyrrol-6-yl)-L-alanine
32T
32T
Name:(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Formula:C9 H10 N2 O2 S
SMILES:O=C(O)C(N)Cc2c1sccc1nc2
InChi:InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Definition date:2003-12-30
Last modified:2025-07-23
Identifier:3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine
3TY
3TY
Name:3-(Phenylhydrazono)-L-tyrosine
Formula:C16 H17 N3 O4
SMILES:O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N
InChi:InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1
Synonyms:3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE
Definition date:2004-08-11
Last modified:2025-07-23
Identifier:3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
BNO
BNO
Name:NORLEUCINE BORONIC ACID
Formula:C5 H14 B N O2
SMILES:OB(O)C(N)CCCC
InChi:InChI=1S/C5H14BNO2/c1-2-3-4-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1
Definition date:1999-07-08
Last modified:2025-07-23
Identifier:[(1R)-1-aminopentyl]boronic acid

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