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DUI
DUI
Name:4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
Formula:C13 H11 N3 O4
SMILES:O=C1NC(=O)CCC1N1C(=O)c2cccc(N)c2C1=O
InChi:InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m1/s1
Definition date:2021-11-30
Last modified:2023-01-20
Release date:2023-01-25
Identifier:4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
GFI
GFI
Name:N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide
Formula:C19 H19 F3 N4 O4
SMILES:CN(C)C(=O)c1cc(on1)CCCOc1ccc(cc1C)c1nc(on1)C(F)(F)F
InChi:InChI=1S/C19H19F3N4O4/c1-11-9-12(16-23-18(30-25-16)19(20,21)22)6-7-15(11)28-8-4-5-13-10-14(24-29-13)17(27)26(2)3/h6-7,9-10H,4-5,8H2,1-3H3
Definition date:2021-12-21
Last modified:2023-01-20
Release date:2023-01-25
Identifier:N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide
GH9
GH9
Name:(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
Formula:C10 H16 O
SMILES:CC12CCC(CC2O1)C(=C)C
InChi:InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
Synonyms:+(-)-limonene oxide
Definition date:2021-12-21
Last modified:2023-01-20
Release date:2023-01-25
Identifier:(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
GHI
GHI
Name:(1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
Formula:C10 H16 O
SMILES:CC12CCC(CC2O1)C(=C)C
InChi:InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1
Synonyms:-(-) limonene oxide
Definition date:2021-12-21
Last modified:2023-01-20
Release date:2023-01-25
Identifier:(1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
HYJ
HYJ
Name:9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2-oxidanyl-1~{H}-purin-6-one
Formula:C10 H13 N4 O9 P
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)O
InChi:InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
Definition date:2022-02-07
Last modified:2023-01-20
Release date:2023-01-25
Identifier:[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
I1B
I1B
Name:6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:C10 H9 N3 S
SMILES:Cc1cc(C)c2n3cnnc3sc2c1
InChi:InChI=1S/C10H9N3S/c1-6-3-7(2)9-8(4-6)14-10-12-11-5-13(9)10/h3-5H,1-2H3
Synonyms:5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
Definition date:2022-02-08
Last modified:2023-01-20
Release date:2023-01-25
Identifier:6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
I1Q
I1Q
Name:6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:C9 H7 N3 S
SMILES:Cc1ccc2n3cnnc3sc2c1
InChi:InChI=1S/C9H7N3S/c1-6-2-3-7-8(4-6)13-9-11-10-5-12(7)9/h2-5H,1H3
Synonyms:7-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
Definition date:2022-02-08
Last modified:2023-01-20
Release date:2023-01-25
Identifier:6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
I4X
I4X
Name:6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:C11 H11 N3 S
SMILES:CC(C)c1ccc2n3cnnc3sc2c1
InChi:InChI=1S/C11H11N3S/c1-7(2)8-3-4-9-10(5-8)15-11-13-12-6-14(9)11/h3-7H,1-2H3
Definition date:2022-02-11
Last modified:2023-01-20
Release date:2023-01-25
Identifier:6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
I5F
I5F
Name:[1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol
Formula:C8 H5 N3 O S
SMILES:Oc1ccc2n3cnnc3sc2c1
InChi:InChI=1S/C8H5N3OS/c12-5-1-2-6-7(3-5)13-8-10-9-4-11(6)8/h1-4,12H
Definition date:2022-02-11
Last modified:2023-01-20
Release date:2023-01-25
Identifier:[1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol
I6M
I6M
Name:N~1~-[(1R,2R)-2-(carbamimidamidomethyl)-5-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}-2,3-dihydro-1H-inden-1-yl]-N~2~-(4-chloro-3-fluorophenyl)ethanediamide
Formula:C25 H30 Cl F N6 O3
SMILES:Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2CC1CNC(=N)N)CN1CCCC1CO
InChi:InChI=1S/C25H30ClFN6O3/c26-20-6-4-17(10-21(20)27)31-23(35)24(36)32-22-16(11-30-25(28)29)9-15-8-14(3-5-19(15)22)12-33-7-1-2-18(33)13-34/h3-6,8,10,16,18,22,34H,1-2,7,9,11-13H2,(H,31,35)(H,32,36)(H4,28,29,30)/t16-,18-,22-/m1/s1
Definition date:2022-01-18
Last modified:2023-01-20
Release date:2023-01-25
Identifier:N~1~-[(1R,2R)-2-(carbamimidamidomethyl)-5-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}-2,3-dihydro-1H-inden-1-yl]-N~2~-(4-chloro-3-fluorophenyl)ethanediamide
I6Q
I6Q
Name:N~1~-[(1R,2R)-5-{[(3R)-3-aminopyrrolidin-1-yl]methyl}-2-(carbamimidamidomethyl)-2,3-dihydro-1H-inden-1-yl]-N~2~-(4-chloro-3-fluorophenyl)ethanediamide
Formula:C24 H29 Cl F N7 O2
SMILES:Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2CC1CNC(=N)N)CN1CCC(N)C1
InChi:InChI=1S/C24H29ClFN7O2/c25-19-4-2-17(9-20(19)26)31-22(34)23(35)32-21-15(10-30-24(28)29)8-14-7-13(1-3-18(14)21)11-33-6-5-16(27)12-33/h1-4,7,9,15-16,21H,5-6,8,10-12,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t15-,16-,21-/m1/s1
Definition date:2022-01-18
Last modified:2023-01-20
Release date:2023-01-25
Identifier:N~1~-[(1R,2R)-5-{[(3R)-3-aminopyrrolidin-1-yl]methyl}-2-(carbamimidamidomethyl)-2,3-dihydro-1H-inden-1-yl]-N~2~-(4-chloro-3-fluorophenyl)ethanediamide
I9L
I9L
Name:6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:C8 H4 Cl N3 S
SMILES:Clc1ccc2n3cnnc3sc2c1
InChi:InChI=1S/C8H4ClN3S/c9-5-1-2-6-7(3-5)13-8-11-10-4-12(6)8/h1-4H
Definition date:2022-03-03
Last modified:2023-01-20
Release date:2023-01-25
Identifier:6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
I9R
I9R
Name:5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:C10 H9 N3 O2 S
SMILES:COc1ccc(OC)c2n3cnnc3sc12
InChi:InChI=1S/C10H9N3O2S/c1-14-6-3-4-7(15-2)9-8(6)13-5-11-12-10(13)16-9/h3-5H,1-2H3
Definition date:2022-03-03
Last modified:2023-01-20
Release date:2023-01-25
Identifier:5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
IA0
IA0
Name:[(2~{S},4~{R})-4-[2-[(3,5-dimethylphenyl)amino]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-piperidin-1-yl]-(6-fluoranyl-1~{H}-benzotriazol-5-yl)methanone
Formula:C27 H29 F N8 O
SMILES:C[CH]1C[CH](CCN1C(=O)c2cc3nn[nH]c3cc2F)N4Cc5cnc(Nc6cc(C)cc(C)c6)nc5C4
InChi:InChI=1S/C27H29FN8O/c1-15-6-16(2)8-19(7-15)30-27-29-12-18-13-35(14-25(18)31-27)20-4-5-36(17(3)9-20)26(37)21-10-23-24(11-22(21)28)33-34-32-23/h6-8,10-12,17,20H,4-5,9,13-14H2,1-3H3,(H,29,30,31)(H,32,33,34)/t17-,20+/m0/s1
Definition date:2022-03-03
Last modified:2023-01-20
Release date:2023-01-25
Identifier:[(2~{S},4~{R})-4-[2-[(3,5-dimethylphenyl)amino]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-piperidin-1-yl]-(6-fluoranyl-1~{H}-benzotriazol-5-yl)methanone
IAJ
IAJ
Name:8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:C9 H7 N3 O S
SMILES:COc1cccc2sc3nncn3c12
InChi:InChI=1S/C9H7N3OS/c1-13-6-3-2-4-7-8(6)12-5-10-11-9(12)14-7/h2-5H,1H3
Definition date:2022-03-03
Last modified:2023-01-20
Release date:2023-01-25
Identifier:8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
IAO
IAO
Name:5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
Formula:C10 H10 N4 O2 S
SMILES:COc1ccc(OC)c2n3c(N)nnc3sc12
InChi:InChI=1S/C10H10N4O2S/c1-15-5-3-4-6(16-2)8-7(5)14-9(11)12-13-10(14)17-8/h3-4H,1-2H3,(H2,11,12)
Definition date:2022-03-03
Last modified:2023-01-20
Release date:2023-01-25
Identifier:5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
IAW
IAW
Name:6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:C9 H7 N3 O S
SMILES:COc1ccc2n3cnnc3sc2c1
InChi:InChI=1S/C9H7N3OS/c1-13-6-2-3-7-8(4-6)14-9-11-10-5-12(7)9/h2-5H,1H3
Definition date:2022-03-04
Last modified:2023-01-20
Release date:2023-01-25
Identifier:6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
IRU
IRU
Name:1~{H}-pyrazol-5-ylmethanol
Formula:C4 H6 N2 O
SMILES:OCc1[nH]ncc1
InChi:InChI=1S/C4H6N2O/c7-3-4-1-2-5-6-4/h1-2,7H,3H2,(H,5,6)
Definition date:2022-04-11
Last modified:2023-01-20
Release date:2023-01-25
Identifier:1~{H}-pyrazol-5-ylmethanol
IUC
IUC
Name:(4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
Formula:C17 H15 Br F N3 O3
SMILES:[O-][N+](=O)c1cc(ccc1Br)C(=O)N2CCN(CC2)c3ccccc3F
InChi:InChI=1S/C17H15BrFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
Definition date:2022-04-13
Last modified:2023-01-20
Release date:2023-01-25
Identifier:(4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
IUF
IUF
Name:~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate
Formula:C20 H22 Cl3 N3 O6
SMILES:COC(=O)[CH]1C[CH]2[CH](C[CH]3CN(C(=O)OCC(Cl)(Cl)Cl)c4c(ccc2c34)[N+]([O-])=O)N(C)C1
InChi:InChI=1S/C20H22Cl3N3O6/c1-24-7-11(18(27)31-2)5-13-12-3-4-14(26(29)30)17-16(12)10(6-15(13)24)8-25(17)19(28)32-9-20(21,22)23/h3-4,10-11,13,15H,5-9H2,1-2H3/t10-,11-,13+,15+/m1/s1
Definition date:2022-04-13
Last modified:2023-01-20
Release date:2023-01-25
Identifier:~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate
IUJ
IUJ
Name:4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
Formula:C18 H19 F N2 O
SMILES:Fc1ccc(cc1)C(=O)NCc2ccc(cc2)N3CCCC3
InChi:InChI=1S/C18H19FN2O/c19-16-7-5-15(6-8-16)18(22)20-13-14-3-9-17(10-4-14)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)
Definition date:2022-04-13
Last modified:2023-01-20
Release date:2023-01-25
Identifier:4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
IUO
IUO
Name:(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
Formula:C17 H15 Cl F N3 O3
SMILES:[O-][N+](=O)c1cc(ccc1Cl)C(=O)N2CCN(CC2)c3ccccc3F
InChi:InChI=1S/C17H15ClFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
Definition date:2022-04-13
Last modified:2023-01-20
Release date:2023-01-25
Identifier:(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
0I7
0I7
Name:3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1S)-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione
Formula:C41 H41 B F2 N7 O6
SMILES:CN1C(=O)N(CCn2cc(COc3ccc(cc3)C4c5n(c(C)cc5C)[B](F)(F)n6c(C)cc(C)c46)nn2)C(=O)c7c(C)c(ccc17)C(=O)[CH]8C(=CCCC8=O)O
InChi:InChI=1S/C41H41BF2N7O6/c1-22-18-24(3)50-37(22)35(38-23(2)19-25(4)51(38)42(50,43)44)27-10-12-29(13-11-27)57-21-28-20-48(46-45-28)16-17-49-40(55)34-26(5)30(14-15-31(34)47(6)41(49)56)39(54)36-32(52)8-7-9-33(36)53/h8,10-15,18-20,35-36,52H,7,9,16-17,21H2,1-6H3/t36-/m0/s1
Definition date:2022-01-20
Last modified:2023-01-20
Release date:2023-01-25
Identifier:3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1~{S})-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione
KC3
KC3
Name:3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
Formula:C12 H17 N5
SMILES:CC1CCN(CC1)c2ccc3nnc(C)n3n2
InChi:InChI=1S/C12H17N5/c1-9-5-7-16(8-6-9)12-4-3-11-14-13-10(2)17(11)15-12/h3-4,9H,5-8H2,1-2H3
Definition date:2022-09-14
Last modified:2023-01-13
Release date:2023-01-18
Identifier:3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
KCL
KCL
Name:~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:C16 H16 N6
SMILES:Cc1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12
InChi:InChI=1S/C16H16N6/c1-11-19-20-16-7-6-15(21-22(11)16)17-9-8-12-10-18-14-5-3-2-4-13(12)14/h2-7,10,18H,8-9H2,1H3,(H,17,21)
Definition date:2022-09-14
Last modified:2023-01-13
Release date:2023-01-18
Identifier:~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

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