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A1BKQ
A1BKQ
Name:4-{[(1S)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
Formula:C13 H14 Br N5 O
SMILES:BrC1=CCCCC1Nc1ncnc2[NH]cc(c21)C(N)=O
InChi:InChI=1S/C13H14BrN5O/c14-8-3-1-2-4-9(8)19-13-10-7(11(15)20)5-16-12(10)17-6-18-13/h3,5-6,9H,1-2,4H2,(H2,15,20)(H2,16,17,18,19)/t9-/m0/s1
Definition date:2024-12-09
Last modified:2025-08-15
Release date:2025-08-20
Identifier:4-{[(1S)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
A1BVV
A1BVV
Name:(1S,2S,4S)-2-{[3-cyclopropyl-N-(4-methoxy-1H-indole-2-carbonyl)-L-alanyl]amino}-1-hydroxy-4-methyl-5-(methylamino)-5-oxopentane-1-sulfonic acid
Formula:C23 H32 N4 O8 S
SMILES:CNC(=O)C(C)CC(NC(=O)C(CC1CC1)NC(=O)c1cc2c(cccc2OC)[NH]1)C(O)S(=O)(=O)O
InChi:InChI=1S/C23H32N4O8S/c1-12(20(28)24-2)9-18(23(31)36(32,33)34)27-21(29)16(10-13-7-8-13)26-22(30)17-11-14-15(25-17)5-4-6-19(14)35-3/h4-6,11-13,16,18,23,25,31H,7-10H2,1-3H3,(H,24,28)(H,26,30)(H,27,29)(H,32,33,34)/t12-,16-,18-,23-/m0/s1
Definition date:2025-02-03
Last modified:2025-08-15
Release date:2025-08-20
Identifier:(1S,2S,4S)-2-{[3-cyclopropyl-N-(4-methoxy-1H-indole-2-carbonyl)-L-alanyl]amino}-1-hydroxy-4-methyl-5-(methylamino)-5-oxopentane-1-sulfonic acid
A1BYV
A1BYV
Name:(4P)-4-(furan-3-yl)-1,3-thiazol-2-amine
Formula:C7 H6 N2 O S
SMILES:Nc1nc(cs1)c1cocc1
InChi:InChI=1S/C7H6N2OS/c8-7-9-6(4-11-7)5-1-2-10-3-5/h1-4H,(H2,8,9)
Definition date:2025-03-03
Last modified:2025-08-15
Release date:2025-08-20
Identifier:(4P)-4-(furan-3-yl)-1,3-thiazol-2-amine
A1CIZ
A1CIZ
Name:(6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole
Formula:C14 H16 N2
SMILES:Cn1ccc2ccc(cc21)C1=CCCNC1
InChi:InChI=1S/C14H16N2/c1-16-8-6-11-4-5-12(9-14(11)16)13-3-2-7-15-10-13/h3-6,8-9,15H,2,7,10H2,1H3
Definition date:2025-07-22
Last modified:2025-08-15
Release date:2025-08-20
Identifier:(6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole
A1ECV
A1ECV
Name:Chlorophyll C3
Formula:C36 H28 Mg N4 O7
SMILES:COC(=O)[CH]1C(=O)C2=C(C)C3=Cc4n5c(C=C6C(=C(C)C7=[N+]6[Mg]58[N]9C(=C7)C(=C(C=CC(O)=O)C9=C1C2=[N+]38)C)C=C)c(C(=O)OC)c4C=C
InChi:InChI=1S/C36H30N4O7.Mg/c1-8-18-15(3)21-12-22-16(4)20(10-11-27(41)42)32(39-22)30-31(36(45)47-7)34(43)28-17(5)23(40-33(28)30)13-25-19(9-2)29(35(44)46-6)26(38-25)14-24(18)37-21
Synonyms:magnesium
Definition date:2024-10-02
Last modified:2025-08-15
Release date:2025-08-20
A1EEQ
A1EEQ
Name:3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid
Formula:C18 H13 Cl2 N3 O4 S
SMILES:OC(=O)c1cccc(N[S](=O)(=O)c2cccnc2Nc3ccc(Cl)cc3Cl)c1
InChi:InChI=1S/C18H13Cl2N3O4S/c19-12-6-7-15(14(20)10-12)22-17-16(5-2-8-21-17)28(26,27)23-13-4-1-3-11(9-13)18(24)25/h1-10,23H,(H,21,22)(H,24,25)
Definition date:2024-10-30
Last modified:2025-08-15
Release date:2025-08-20
Identifier:3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid
A1EHT
A1EHT
Name:N4-Acetylcytidine
Formula:C11 H15 N3 O6
SMILES:CC(=O)NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
InChi:InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9+,10-/m1/s1
Definition date:2024-12-12
Last modified:2025-08-15
Release date:2025-08-20
Identifier:~{N}-[1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]ethanamide
A1EMU
A1EMU
Name:3-(4-bromophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole
Formula:C22 H22 Br N5 O S
SMILES:COc1ccc(cc1)N2CCN(CC2)Cc3sc4nnc(n4c3)c5ccc(Br)cc5
InChi:InChI=1S/C22H22BrN5OS/c1-29-19-8-6-18(7-9-19)27-12-10-26(11-13-27)14-20-15-28-21(24-25-22(28)30-20)16-2-4-17(23)5-3-16/h2-9,15H,10-14H2,1H3
Definition date:2025-03-07
Last modified:2025-08-08
Release date:2025-08-13
Identifier:3-(4-bromophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole
A1I5Z
A1I5Z
Name:6-azanyl-1-[2-(azetidin-3-yl)ethyl]-2-cycloheptyl-4-ethoxy-pyrazolo[3,4-d]pyrimidin-3-one
Formula:C19 H30 N6 O2
SMILES:CCOc1nc(N)nc2N(CCC3CNC3)N(C4CCCCCC4)C(=O)c12
InChi:InChI=1S/C19H30N6O2/c1-2-27-17-15-16(22-19(20)23-17)24(10-9-13-11-21-12-13)25(18(15)26)14-7-5-3-4-6-8-14/h13-14,21H,2-12H2,1H3,(H2,20,22,23)
Definition date:2025-03-12
Last modified:2025-08-08
Release date:2025-08-13
Identifier:6-azanyl-1-[2-(azetidin-3-yl)ethyl]-2-cycloheptyl-4-ethoxy-pyrazolo[3,4-d]pyrimidin-3-one
A1I62
A1I62
Name:2-azanyl-4-ethoxy-6-[(1~{R},2~{S})-2-oxidanylcyclohexyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one
Formula:C14 H20 N4 O3
SMILES:CCOc1nc(N)nc2CN([CH]3CCCC[CH]3O)C(=O)c12
InChi:InChI=1S/C14H20N4O3/c1-2-21-12-11-8(16-14(15)17-12)7-18(13(11)20)9-5-3-4-6-10(9)19/h9-10,19H,2-7H2,1H3,(H2,15,16,17)/t9-,10+/m1/s1
Definition date:2025-03-19
Last modified:2025-08-08
Release date:2025-08-13
Identifier:2-azanyl-4-ethoxy-6-[(1~{R},2~{S})-2-oxidanylcyclohexyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one
R1G
R1G
Name:1-(ethenylsulfonyl)-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazine
Formula:C14 H17 F3 N2 O3 S
SMILES:C(c1ccc(OC(F)(F)F)cc1)N2CCN(CC2)S([C@H]=C)(=O)=O
InChi:InChI=1S/C14H17F3N2O3S/c1-2-23(20,21)19-9-7-18(8-10-19)11-12-3-5-13(6-4-12)22-14(15,16)17/h2-6H,1,7-11H2
Definition date:2020-01-23
Last modified:2025-08-08
Release date:2025-08-13
Identifier:1-(ethenylsulfonyl)-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazine
R1J
R1J
Name:(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(prop-2-yn-1-yl)oxy]methyl}piperazine
Formula:C18 H20 F4 N2 O4 S
SMILES:c1(F)c(ccc(c1)CN2CCN(CC2COCC#C)S(/C=C)(=O)=O)OC(F)(F)F
InChi:InChI=1S/C18H20F4N2O4S/c1-3-9-27-13-15-12-24(29(25,26)4-2)8-7-23(15)11-14-5-6-17(16(19)10-14)28-18(20,21)22/h1,4-6,10,15H,2,7-9,11-13H2/t15-/m1/s1
Definition date:2020-01-23
Last modified:2025-08-08
Release date:2025-08-13
Identifier:(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(prop-2-yn-1-yl)oxy]methyl}piperazine
R1M
R1M
Name:1-(ethenylsulfonyl)-4-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}piperazine
Formula:C14 H16 F4 N2 O3 S
SMILES:C1N(CCN(C1)S(/C=C)(=O)=O)Cc2ccc(c(c2)F)OC(F)(F)F
InChi:InChI=1S/C14H16F4N2O3S/c1-2-24(21,22)20-7-5-19(6-8-20)10-11-3-4-13(12(15)9-11)23-14(16,17)18/h2-4,9H,1,5-8,10H2
Definition date:2020-01-23
Last modified:2025-08-08
Release date:2025-08-13
Identifier:1-(ethenylsulfonyl)-4-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}piperazine
A1IKF
A1IKF
Name:N-(2-(2-(2-acetamidoethoxy)ethoxy)ethyl)-3-(N-(1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)sulfamoyl)benzamide
Formula:C33 H41 N5 O9 S
SMILES:CCCOc1cccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4cccc(c4)C(=O)NCCOCCOCCNC(C)=O)c1
InChi:InChI=1S/C33H41N5O9S/c1-5-14-46-25-9-7-10-26(20-25)47-31-22-30-29(37(3)33(41)38(30)4)21-28(31)36-48(42,43)27-11-6-8-24(19-27)32(40)35-13-16-45-18-17-44-15-12-34-23(2)39/h6-11,19-22,36H,5,12-18H2,1-4H3,(H,34,39)(H,35,40)
Definition date:2024-08-07
Last modified:2025-08-08
Release date:2025-08-13
Identifier:~{N}-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[[1,3-dimethyl-2-oxidanylidene-6-(3-propoxyphenoxy)benzimidazol-5-yl]sulfamoyl]benzamide
A1IOS
A1IOS
Name:stanozolol
Formula:C21 H32 N2 O
SMILES:C[C]1(O)CC[CH]2[CH]3CC[CH]4Cc5n[nH]cc5C[C]4(C)[CH]3CC[C]12C
InChi:InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1
Definition date:2024-09-16
Last modified:2025-08-08
Release date:2025-08-13
A1IXE
A1IXE
Name:1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Formula:C19 H24 N4 O3 S
SMILES:Cc1ccc(cc1)n2c(C)nnc2SCC(=O)N3CCOCCC34COC4
InChi:InChI=1S/C19H24N4O3S/c1-14-3-5-16(6-4-14)23-15(2)20-21-18(23)27-11-17(24)22-8-10-25-9-7-19(22)12-26-13-19/h3-6H,7-13H2,1-2H3
Definition date:2024-12-19
Last modified:2025-08-08
Release date:2025-08-13
Identifier:1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
A1IXF
A1IXF
Name:methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate
Formula:C16 H26 N4 O4 S
SMILES:COC(=O)C1(CC(C)(C)OC(C)(C)C1)NCC(=O)Nc2sc(C)nn2
InChi:InChI=1S/C16H26N4O4S/c1-10-19-20-13(25-10)18-11(21)7-17-16(12(22)23-6)8-14(2,3)24-15(4,5)9-16/h17H,7-9H2,1-6H3,(H,18,20,21)
Definition date:2024-12-19
Last modified:2025-08-08
Release date:2025-08-13
Identifier:methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate
A1JAT
A1JAT
Name:(6R,6aR,7S,10R,10aS)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid
Formula:C23 H19 F6 N O2
SMILES:OC(=O)c1ccc2[CH]3[CH]4CC[CH](C4)[CH]3[CH](Nc2c1)c5cc(cc(c5)C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C23H19F6NO2/c24-22(25,26)14-6-13(7-15(9-14)23(27,28)29)20-19-11-2-1-10(5-11)18(19)16-4-3-12(21(31)32)8-17(16)30-20/h3-4,6-11,18-20,30H,1-2,5H2,(H,31,32)/t10-,11+,18-,19-,20+/m1/s1
Definition date:2025-04-10
Last modified:2025-08-08
Release date:2025-08-13
A1JB2
A1JB2
Name:4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonyl-5-pyridin-3-yl-benzene-1,2-diol
Formula:C23 H24 N6 O7 S2
SMILES:CN(C)c1ccc(c2nonc12)[S](=O)(=O)N3CCN(CC3)[S](=O)(=O)c4cc(O)c(O)cc4c5cccnc5
InChi:InChI=1S/C23H24N6O7S2/c1-27(2)17-5-6-20(23-22(17)25-36-26-23)37(32,33)28-8-10-29(11-9-28)38(34,35)21-13-19(31)18(30)12-16(21)15-4-3-7-24-14-15/h3-7,12-14,30-31H,8-11H2,1-2H3
Synonyms:DEHSUWFLXFTDPH-UHFFFAOYSA-N
Definition date:2025-05-07
Last modified:2025-08-08
Release date:2025-08-13
Identifier:4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonyl-5-pyridin-3-yl-benzene-1,2-diol
A1JB3
A1JB3
Name:4-[4-[(7-azanyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol
Formula:C16 H17 N5 O7 S2
SMILES:Nc1ccc(c2nonc12)[S](=O)(=O)N3CCN(CC3)[S](=O)(=O)c4ccc(O)c(O)c4
InChi:InChI=1S/C16H17N5O7S2/c17-11-2-4-14(16-15(11)18-28-19-16)30(26,27)21-7-5-20(6-8-21)29(24,25)10-1-3-12(22)13(23)9-10/h1-4,9,22-23H,5-8,17H2
Synonyms:BEHXKSOMSFVUBW-UHFFFAOYSA-N
Definition date:2025-05-07
Last modified:2025-08-08
Release date:2025-08-13
Identifier:4-[4-[(7-azanyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol
A1JBW
A1JBW
Name:4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol
Formula:C18 H21 N5 O7 S2
SMILES:CN(C)c1ccc(c2nonc12)[S](=O)(=O)N3CCN(CC3)[S](=O)(=O)c4ccc(O)c(O)c4
InChi:InChI=1S/C18H21N5O7S2/c1-21(2)13-4-6-16(18-17(13)19-30-20-18)32(28,29)23-9-7-22(8-10-23)31(26,27)12-3-5-14(24)15(25)11-12/h3-6,11,24-25H,7-10H2,1-2H3
Definition date:2025-05-07
Last modified:2025-08-08
Release date:2025-08-13
Identifier:4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol
A1JBZ
A1JBZ
Name:4-[4-[(7-piperidin-1-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol
Formula:C21 H25 N5 O7 S2
SMILES:Oc1ccc(cc1O)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc(N4CCCCC4)c5nonc35
InChi:InChI=1S/C21H25N5O7S2/c27-17-6-4-15(14-18(17)28)34(29,30)25-10-12-26(13-11-25)35(31,32)19-7-5-16(20-21(19)23-33-22-20)24-8-2-1-3-9-24/h4-7,14,27-28H,1-3,8-13H2
Synonyms:ISODZKPLYYJZLI-UHFFFAOYSA-N
Definition date:2025-05-07
Last modified:2025-08-08
Release date:2025-08-13
Identifier:4-[4-[(7-piperidin-1-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol
A1JC6
A1JC6
Name:(~{E})-3-[3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C16 H10 F3 N O3
SMILES:FC(F)(F)c1cccc(c1)C(=O)C=Cc2cccc(c2)[N+](=O)=O
InChi:InChI=1S/C16H10F3NO3/c17-16(18,19)13-5-2-4-12(10-13)15(21)8-7-11-3-1-6-14(9-11)20(22)23/h1-10H/q+1/b8-7+
Definition date:2025-05-12
Last modified:2025-08-08
Release date:2025-08-13
Identifier:(~{E})-3-[3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
A1JC8
A1JC8
Name:(~{E})-3-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C17 H11 F3 O3
SMILES:FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccc3[oH]coc3c2
InChi:InChI=1S/C17H11F3O3/c18-17(19,20)13-3-1-2-12(9-13)14(21)6-4-11-5-7-15-16(8-11)23-10-22-15/h1-10,22H/b6-4+
Definition date:2025-05-12
Last modified:2025-08-08
Release date:2025-08-13
Identifier:(~{E})-3-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
A1JCO
A1JCO
Name:(~{E})-3-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C16 H10 F3 N O3
SMILES:FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccc(cc2)[N](=O)=O
InChi:InChI=1S/C16H10F3NO3/c17-16(18,19)13-3-1-2-12(10-13)15(21)9-6-11-4-7-14(8-5-11)20(22)23/h1-10H
Definition date:2025-05-09
Last modified:2025-08-08
Release date:2025-08-13
Identifier:(~{E})-3-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

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