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A1A6J
A1A6J
Name:2-(3-{2-[4-(3,3-dimethylazetidin-1-yl)-4-oxobutanoyl]hydrazin-1-yl}-3-oxopropyl)-N-{(1R)-1-[(3P,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}benzamide
Formula:C36 H44 N8 O4
SMILES:CCn1ccc(n1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1ccccc1CCC(=O)NNC(=O)CCC(=O)N1CC(C)(C)C1
InChi:InChI=1S/C36H44N8O4/c1-6-44-16-15-31(41-44)28-18-26(17-27(19-28)29-20-37-42(5)21-29)24(2)38-35(48)30-10-8-7-9-25(30)11-12-32(45)39-40-33(46)13-14-34(47)43-22-36(3,4)23-43/h7-10,15-21,24H,6,11-14,22-23H2,1-5H3,(H,38,48)(H,39,45)(H,40,46)/t24-/m1/s1
Synonyms:Jun13567, bound form
Definition date:2024-09-13
Last modified:2025-03-21
Release date:2025-03-26
Identifier:2-(3-{2-[4-(3,3-dimethylazetidin-1-yl)-4-oxobutanoyl]hydrazin-1-yl}-3-oxopropyl)-N-{(1R)-1-[(3P,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}benzamide
A1H6A
A1H6A
Name:adamantane-1-carboxylic acid
Formula:C11 H16 O2
SMILES:OC(=O)C12CC3CC(CC(C3)C1)C2
InChi:InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/t7-,8+,9-,11-
Definition date:2024-03-14
Last modified:2025-03-21
Release date:2025-03-26
Identifier:adamantane-1-carboxylic acid
A1H7R
A1H7R
Name:(2S)-1-(4-bromophenyl)propan-2-amine
Formula:C9 H12 Br N
SMILES:C[CH](N)Cc1ccc(Br)cc1
InChi:InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
Synonyms:N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide)
Definition date:2024-04-05
Last modified:2025-03-21
Release date:2025-03-26
Identifier:(2~{S})-1-(4-bromophenyl)propan-2-amine
A1IL6
A1IL6
Name:(2~{S},4~{S})-4-hexylsulfanylpyrrolidine-2-carboxylic acid
Formula:C11 H21 N O2 S
SMILES:CCCCCCS[CH]1CN[CH](C1)C(O)=O
InChi:InChI=1S/C11H21NO2S/c1-2-3-4-5-6-15-9-7-10(11(13)14)12-8-9/h9-10,12H,2-8H2,1H3,(H,13,14)/t9-,10-/m0/s1
Definition date:2024-08-20
Last modified:2025-03-21
Release date:2025-03-26
Identifier:(2~{S},4~{S})-4-hexylsulfanylpyrrolidine-2-carboxylic acid
A1IQY
A1IQY
Name:methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate
Formula:C11 H11 N O4
SMILES:COC(=O)C(C)=Cc1ccc(cc1)[N+]([O-])=O
InChi:InChI=1S/C11H11NO4/c1-8(11(13)16-2)7-9-3-5-10(6-4-9)12(14)15/h3-7H,1-2H3/b8-7-
Definition date:2024-10-03
Last modified:2025-03-21
Release date:2025-03-26
Identifier:methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate
A1IQZ
A1IQZ
Name:methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate
Formula:C13 H12 O2
SMILES:COC(=O)C(C)=Cc1ccc(cc1)C#C
InChi:InChI=1S/C13H12O2/c1-4-11-5-7-12(8-6-11)9-10(2)13(14)15-3/h1,5-9H,2-3H3/b10-9-
Definition date:2024-10-03
Last modified:2025-03-21
Release date:2025-03-26
Identifier:methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate
7Y8
7Y8
Name:3-[(2R)-2-azanyl-1-oxidanyl-propyl]phenol
Formula:C9 H13 N O2
SMILES:C[CH](N)[CH](O)c1cccc(O)c1
InChi:InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9?/m1/s1
Definition date:2021-11-02
Last modified:2025-03-21
Release date:2025-03-26
Identifier:3-[(2~{R})-2-azanyl-1-oxidanyl-propyl]phenol
A1ARO
A1ARO
Name:2-{3-[4-(methanesulfonyl)-2-methoxyanilino]prop-1-yn-1-yl}-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-amine
Formula:C27 H31 F3 N4 O3 S
SMILES:CN1CCC(Nc2cccc3n(CC(F)(F)F)c(C#CCNc4ccc(cc4OC)S(C)(=O)=O)cc23)CC1
InChi:InChI=1S/C27H31F3N4O3S/c1-33-14-11-19(12-15-33)32-23-7-4-8-25-22(23)16-20(34(25)18-27(28,29)30)6-5-13-31-24-10-9-21(38(3,35)36)17-26(24)37-2/h4,7-10,16-17,19,31-32H,11-15,18H2,1-3H3
Definition date:2024-05-13
Last modified:2025-03-21
Release date:2025-03-26
Identifier:2-{3-[4-(methanesulfonyl)-2-methoxyanilino]prop-1-yn-1-yl}-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-amine
A1AXA
A1AXA
Name:{4-[(oxan-4-yl)oxy]phenyl}methanol
Formula:C12 H16 O3
SMILES:OCc1ccc(cc1)OC1CCOCC1
InChi:InChI=1S/C12H16O3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12-13H,5-9H2
Definition date:2024-07-10
Last modified:2025-03-21
Release date:2025-03-26
Identifier:{4-[(oxan-4-yl)oxy]phenyl}methanol
A1AXB
A1AXB
Name:N-(5-chloro-2-methoxyphenyl)thiourea
Formula:C8 H9 Cl N2 O S
SMILES:COc1ccc(Cl)cc1NC(N)=S
InChi:InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13)
Definition date:2024-07-10
Last modified:2025-03-21
Release date:2025-03-26
Identifier:N-(5-chloro-2-methoxyphenyl)thiourea
A1AXE
A1AXE
Name:1-methyl-1H-indole-6-carboxylic acid
Formula:C10 H9 N O2
SMILES:O=C(O)c1ccc2ccn(C)c2c1
InChi:InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
Definition date:2024-07-10
Last modified:2025-03-21
Release date:2025-03-26
Identifier:1-methyl-1H-indole-6-carboxylic acid
A1AXF
A1AXF
Name:1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine
Formula:C10 H12 Cl F2 N3
SMILES:FC(F)c1cc(ncc1Cl)N1CCNCC1
InChi:InChI=1S/C10H12ClF2N3/c11-8-6-15-9(5-7(8)10(12)13)16-3-1-14-2-4-16/h5-6,10,14H,1-4H2
Definition date:2024-07-10
Last modified:2025-03-21
Release date:2025-03-26
Identifier:1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine
A1AXQ
A1AXQ
Name:2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
Formula:C9 H7 Br N2 O
SMILES:Cc1nnc(o1)c1cc(Br)ccc1
InChi:InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
A1AXR
A1AXR
Name:[3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid
Formula:C12 H12 N2 O2
SMILES:OC(=O)Cn1ccc(n1)c1ccc(C)cc1
InChi:InChI=1S/C12H12N2O2/c1-9-2-4-10(5-3-9)11-6-7-14(13-11)8-12(15)16/h2-7H,8H2,1H3,(H,15,16)
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:[3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid
A1AXU
A1AXU
Name:5-bromo-2-(1H-pyrazol-1-yl)pyrimidine
Formula:C7 H5 Br N4
SMILES:Brc1cnc(nc1)n1cccn1
InChi:InChI=1S/C7H5BrN4/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:5-bromo-2-(1H-pyrazol-1-yl)pyrimidine
A1AXV
A1AXV
Name:N-(3-methylphenyl)thiourea
Formula:C8 H10 N2 S
SMILES:S=C(N)Nc1cc(C)ccc1
InChi:InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:N-(3-methylphenyl)thiourea
A1AXY
A1AXY
Name:N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea
Formula:C15 H21 N3 S
SMILES:S=C(NCCc1ccccn1)NC1CC2CCC1C2
InChi:InChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)/t11-,12?,14?/m1/s1
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea
A1AXZ
A1AXZ
Name:3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
Formula:C11 H12 N2 O S
SMILES:O=C1CNC(=S)N1CCc1ccccc1
InChi:InChI=1S/C11H12N2OS/c14-10-8-12-11(15)13(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
A1AYB
A1AYB
Name:N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine
Formula:C13 H14 N2 O
SMILES:CNCc1ccc(cc1)Oc1ccccn1
InChi:InChI=1S/C13H14N2O/c1-14-10-11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-9,14H,10H2,1H3
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine
A1AYE
A1AYE
Name:6-(4-chloro-3-methylphenoxy)pyridin-3-amine
Formula:C12 H11 Cl N2 O
SMILES:Cc1cc(ccc1Cl)Oc1ccc(N)cn1
InChi:InChI=1S/C12H11ClN2O/c1-8-6-10(3-4-11(8)13)16-12-5-2-9(14)7-15-12/h2-7H,14H2,1H3
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:6-(4-chloro-3-methylphenoxy)pyridin-3-amine
A1AYF
A1AYF
Name:(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Formula:C8 H9 N O2
SMILES:O=C1NC(=O)C2CC=CCC12
InChi:InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
A1AYQ
A1AYQ
Name:(4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine
Formula:C8 H8 Cl N3
SMILES:Clc1cccc2nnc(CC)n12
InChi:InChI=1S/C8H8ClN3/c1-2-7-10-11-8-5-3-4-6(9)12(7)8/h3-5H,2H2,1H3
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:(4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine
A1AYR
A1AYR
Name:3-(3-bromothiophen-2-yl)-1H-pyrazole
Formula:C7 H5 Br N2 S
SMILES:Brc1ccsc1c1n[NH]cc1
InChi:InChI=1S/C7H5BrN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10)
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:3-(3-bromothiophen-2-yl)-1H-pyrazole
A1AYU
A1AYU
Name:2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Formula:C10 H7 F3 N2 O
SMILES:FC(F)(F)C1=CC(=O)N(N1)c1ccccc1
InChi:InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,14H
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
A1AYV
A1AYV
Name:2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Formula:C7 H6 N2 O4 S
SMILES:NS(=O)(=O)c1ccc2NC(=O)Oc2c1
InChi:InChI=1S/C7H6N2O4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)(H2,8,11,12)
Definition date:2024-07-11
Last modified:2025-03-21
Release date:2025-03-26
Identifier:2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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