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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
X9N
X9N
Name:1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one
Formula:C16 H23 F N2 O
SMILES:CCN1CCN(CC1)c1ccc(cc1F)C(=O)CCC
InChi:InChI=1S/C16H23FN2O/c1-3-5-16(20)13-6-7-15(14(17)12-13)19-10-8-18(4-2)9-11-19/h6-7,12H,3-5,8-11H2,1-2H3
Definition date:2022-11-07
Last modified:2023-01-13
Release date:2023-01-18
Identifier:1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one
X0I
X0I
Name:(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Formula:C20 H20 F3 N3 O3
SMILES:O=C(NC(c1ccc(cc1)c1cc(F)c(F)c(F)c1)C(=O)NO)NC1CCCC1
InChi:InChI=1S/C20H20F3N3O3/c21-15-9-13(10-16(22)17(15)23)11-5-7-12(8-6-11)18(19(27)26-29)25-20(28)24-14-3-1-2-4-14/h5-10,14,18,29H,1-4H2,(H,26,27)(H2,24,25,28)/t18-/m1/s1
Definition date:2022-10-25
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
X10
X10
Name:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide
Formula:C22 H18 F3 N3 O3
SMILES:Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO
InChi:InChI=1S/C22H18F3N3O3/c23-17-10-15(11-18(24)20(17)25)13-6-8-14(9-7-13)21(22(30)28-31)27-19(29)12-26-16-4-2-1-3-5-16/h1-11,21,26,31H,12H2,(H,27,29)(H,28,30)/t21-/m1/s1
Definition date:2022-10-25
Last modified:2023-01-13
Release date:2023-01-18
Identifier:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide
WNQ
WNQ
Name:4-(4-methylpiperazine-1-sulfonyl)benzamide
Formula:C12 H17 N3 O3 S
SMILES:CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(N)=O
InChi:InChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
Definition date:2022-10-04
Last modified:2023-01-13
Release date:2023-01-18
Identifier:4-(4-methylpiperazine-1-sulfonyl)benzamide
X4I
X4I
Name:N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide
Formula:C22 H16 F5 N3 O3
SMILES:Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1cc(F)cc(F)c1)C(=O)NO
InChi:InChI=1S/C22H16F5N3O3/c23-14-7-15(24)9-16(8-14)28-10-19(31)29-21(22(32)30-33)12-3-1-11(2-4-12)13-5-17(25)20(27)18(26)6-13/h1-9,21,28,33H,10H2,(H,29,31)(H,30,32)/t21-/m1/s1
Definition date:2022-10-27
Last modified:2023-01-13
Release date:2023-01-18
Identifier:N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide
X4O
X4O
Name:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
Formula:C16 H15 Br F N3 O3
SMILES:Brc1ccc(cc1)C(NC(=O)CNc1ccc(F)cc1)C(=O)NO
InChi:InChI=1S/C16H15BrFN3O3/c17-11-3-1-10(2-4-11)15(16(23)21-24)20-14(22)9-19-13-7-5-12(18)6-8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
Definition date:2022-10-27
Last modified:2023-01-13
Release date:2023-01-18
Identifier:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
X4T
X4T
Name:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide
Formula:C16 H16 Br N3 O3
SMILES:Brc1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO
InChi:InChI=1S/C16H16BrN3O3/c17-12-8-6-11(7-9-12)15(16(22)20-23)19-14(21)10-18-13-4-2-1-3-5-13/h1-9,15,18,23H,10H2,(H,19,21)(H,20,22)/t15-/m1/s1
Definition date:2022-10-27
Last modified:2023-01-13
Release date:2023-01-18
Identifier:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide
JHO
JHO
Name:(2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol
Formula:C18 H20 N6 O
SMILES:CCc1nnc2ccc(N[CH](CO)Cc3c[nH]c4ccccc34)nn12
InChi:InChI=1S/C18H20N6O/c1-2-17-21-22-18-8-7-16(23-24(17)18)20-13(11-25)9-12-10-19-15-6-4-3-5-14(12)15/h3-8,10,13,19,25H,2,9,11H2,1H3,(H,20,23)/t13-/m0/s1
Definition date:2022-08-11
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(2~{S})-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1~{H}-indol-3-yl)propan-1-ol
X68
X68
Name:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide
Formula:C16 H15 Br F N3 O3
SMILES:Brc1ccc(cc1)C(NC(=O)CNc1cccc(F)c1)C(=O)NO
InChi:InChI=1S/C16H15BrFN3O3/c17-11-6-4-10(5-7-11)15(16(23)21-24)20-14(22)9-19-13-3-1-2-12(18)8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
Definition date:2022-10-31
Last modified:2023-01-13
Release date:2023-01-18
Identifier:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide
JLX
JLX
Name:N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:C16 H13 F3 N6
SMILES:FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12
InChi:InChI=1S/C16H13F3N6/c17-16(18,19)15-23-22-14-6-5-13(24-25(14)15)20-8-7-10-9-21-12-4-2-1-3-11(10)12/h1-6,9,21H,7-8H2,(H,20,24)
Definition date:2022-08-22
Last modified:2023-01-13
Release date:2023-01-18
Identifier:~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
L2U
L2U
Name:(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid
Formula:C41 H57 N9 O13 S
SMILES:CC(C)C[CH](NC(=O)[CH]1C[CH](N)CN1C(=O)CC[CH](N[S](=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(N)=O)cc2)C(O)=O)C(=O)N(C)[CH](CCC(O)=O)C(=O)NCCCCC(N)=O
InChi:InChI=1S/C41H57N9O13S/c1-23(2)20-30(40(59)49(3)31(16-18-35(53)54)38(57)45-19-5-4-6-33(43)51)47-39(58)32-21-26(42)22-50(32)34(52)17-15-29(41(60)61)48-64(62,63)28-13-11-27(12-14-28)46-37(56)25-9-7-24(8-10-25)36(44)55/h7-14,23,26,29-32,48H,4-6,15-22,42H2,1-3H3,(H2,43,51)(H2,44,55)(H,45,57)(H,46,56)(H,47,58)(H,53,54)(H,60,61)/t26-,29+,30-,31-,32-/m0/s1
Definition date:2022-11-08
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid
JVI
JVI
Name:4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:C18 H21 N5 O2
SMILES:CCNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC
InChi:InChI=1S/C18H21N5O2/c1-3-19-18-21-13-6-4-5-12(13)17(22-18)23-10-16(24)20-14-9-11(25-2)7-8-15(14)23/h7-9H,3-6,10H2,1-2H3,(H,20,24)(H,19,21,22)
Definition date:2022-02-02
Last modified:2023-01-13
Release date:2023-01-18
Identifier:4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one

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