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A1I02
A1I02
Name:2-chloranyl-~{N}-[4-[3-[(2,6-dimethyl-4-oxidanyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
Formula:C23 H21 Cl N4 O2
SMILES:Cc1cc(O)cc(C)c1Nc2n3ccccc3nc2c4ccc(NC(=O)CCl)cc4
InChi:InChI=1S/C23H21ClN4O2/c1-14-11-18(29)12-15(2)21(14)27-23-22(26-19-5-3-4-10-28(19)23)16-6-8-17(9-7-16)25-20(30)13-24/h3-12,27,29H,13H2,1-2H3,(H,25,30)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-[3-[(2,6-dimethyl-4-oxidanyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
A1I0Q
A1I0Q
Name:2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide
Formula:C23 H20 Cl2 N4 O
SMILES:Cc1cccc(Cl)c1Nc2n3ccccc3nc2c4ccc(CNC(=O)CCl)cc4
InChi:InChI=1S/C23H20Cl2N4O/c1-15-5-4-6-18(25)21(15)28-23-22(27-19-7-2-3-12-29(19)23)17-10-8-16(9-11-17)14-26-20(30)13-24/h2-12,28H,13-14H2,1H3,(H,26,30)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide
A1I0R
A1I0R
Name:2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]cyclohexyl]ethanamide
Formula:C22 H24 Cl2 N4 O
SMILES:Cc1cccc(Cl)c1Nc2n3ccccc3nc2[CH]4CC[CH](CC4)NC(=O)CCl
InChi:InChI=1S/C22H24Cl2N4O/c1-14-5-4-6-17(24)20(14)27-22-21(26-18-7-2-3-12-28(18)22)15-8-10-16(11-9-15)25-19(29)13-23/h2-7,12,15-16,27H,8-11,13H2,1H3,(H,25,29)/t15-,16-
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]cyclohexyl]ethanamide
A1I0U
A1I0U
Name:2-chloranyl-~{N}-[4-[6-chloranyl-3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide
Formula:C23 H19 Cl2 F N4 O
SMILES:Cc1cccc(C)c1Nc2n3cc(Cl)ccc3nc2c4ccc(NC(=O)CCl)cc4F
InChi:InChI=1S/C23H19Cl2FN4O/c1-13-4-3-5-14(2)21(13)29-23-22(28-19-9-6-15(25)12-30(19)23)17-8-7-16(10-18(17)26)27-20(31)11-24/h3-10,12,29H,11H2,1-2H3,(H,27,31)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-[6-chloranyl-3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide
A1I0V
A1I0V
Name:2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
Formula:C22 H19 Cl N4 O
SMILES:ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2NCc4ccccc4
InChi:InChI=1S/C22H19ClN4O/c23-14-20(28)25-18-11-9-17(10-12-18)21-22(24-15-16-6-2-1-3-7-16)27-13-5-4-8-19(27)26-21/h1-13,24H,14-15H2,(H,25,28)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
A1I0Y
A1I0Y
Name:2-chloranyl-~{N}-[4-[3-[(2-methoxy-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
Formula:C23 H21 Cl N4 O2
SMILES:COc1cccc(C)c1Nc2n3ccccc3nc2c4ccc(NC(=O)CCl)cc4
InChi:InChI=1S/C23H21ClN4O2/c1-15-6-5-7-18(30-2)21(15)27-23-22(26-19-8-3-4-13-28(19)23)16-9-11-17(12-10-16)25-20(29)14-24/h3-13,27H,14H2,1-2H3,(H,25,29)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-[3-[(2-methoxy-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
A1I0Z
A1I0Z
Name:2-chloranyl-~{N}-[4-(3-phenylazanylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamide
Formula:C21 H17 Cl N4 O
SMILES:ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2Nc4ccccc4
InChi:InChI=1S/C21H17ClN4O/c22-14-19(27)23-17-11-9-15(10-12-17)20-21(24-16-6-2-1-3-7-16)26-13-5-4-8-18(26)25-20/h1-13,24H,14H2,(H,23,27)
Definition date:2025-01-31
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-chloranyl-~{N}-[4-(3-phenylazanylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamide
A1I9O
A1I9O
Name:5-[6-[(3-chloranyl-4-phenyl-phenyl)methylamino]hexylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
Formula:C32 H31 Cl N4 O2
SMILES:OC(=O)c1ccc2c(c1)nc(NCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25
InChi:InChI=1S/C32H31ClN4O2/c33-29-18-22(10-12-25(29)23-8-4-3-5-9-23)20-34-15-6-1-2-7-16-36-31-27-14-17-35-21-28(27)26-13-11-24(32(38)39)19-30(26)37-31/h3-5,8-14,17-19,21,34H,1-2,6-7,15-16,20H2,(H,36,37)(H,38,39)
Definition date:2025-04-03
Last modified:2025-07-25
Release date:2025-07-30
Identifier:5-[6-[(3-chloranyl-4-phenyl-phenyl)methylamino]hexylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
A1I9Z
A1I9Z
Name:5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
Formula:C34 H35 Cl N4 O2
SMILES:OC(=O)c1ccc2c(c1)nc(NCCCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25
InChi:InChI=1S/C34H35ClN4O2/c35-31-20-24(12-14-27(31)25-10-6-5-7-11-25)22-36-17-8-3-1-2-4-9-18-38-33-29-16-19-37-23-30(29)28-15-13-26(34(40)41)21-32(28)39-33/h5-7,10-16,19-21,23,36H,1-4,8-9,17-18,22H2,(H,38,39)(H,40,41)
Definition date:2025-04-07
Last modified:2025-07-25
Release date:2025-07-30
Identifier:5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
A1IIB
A1IIB
Name:methyl 1H-imidazole-5-carboxylate
Formula:C5 H6 N2 O2
SMILES:COC(=O)c1[nH]cnc1
InChi:InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)
Synonyms:(4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN
Definition date:2024-07-16
Last modified:2025-07-25
Release date:2025-07-30
Identifier:methyl 1~{H}-imidazole-5-carboxylate
A1IIE
A1IIE
Name:8-[3-chloranyl-4-[(~{E})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
Formula:C28 H24 Cl2 N6 O4
SMILES:CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(Cl)c4)nc12
InChi:InChI=1S/C28H24Cl2N6O4/c1-34-25-24(26(38)35(28(34)39)14-5-15-37)36(17-18-8-10-19(29)11-9-18)27(31-25)40-21-12-13-23(22(30)16-21)33-32-20-6-3-2-4-7-20/h2-4,6-13,16,37H,5,14-15,17H2,1H3/b33-32+
Definition date:2024-07-17
Last modified:2025-07-25
Release date:2025-07-30
Identifier:8-[3-chloranyl-4-[(~{E})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
A1IIF
A1IIF
Name:8-[3-chloranyl-4-[(~{Z})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
Formula:C28 H24 Cl2 N6 O4
SMILES:CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(Cl)c4)nc12
InChi:InChI=1S/C28H24Cl2N6O4/c1-34-25-24(26(38)35(28(34)39)14-5-15-37)36(17-18-8-10-19(29)11-9-18)27(31-25)40-21-12-13-23(22(30)16-21)33-32-20-6-3-2-4-7-20/h2-4,6-13,16,37H,5,14-15,17H2,1H3/b33-32-
Definition date:2024-07-17
Last modified:2025-07-25
Release date:2025-07-30
Identifier:8-[3-chloranyl-4-[(~{Z})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
A1IIQ
A1IIQ
Name:4-ethyl-2,5-dimethyl-pyrazol-3-amine
Formula:C7 H13 N3
SMILES:CCc1c(C)nn(C)c1N
InChi:InChI=1S/C7H13N3/c1-4-6-5(2)9-10(3)7(6)8/h4,8H2,1-3H3
Definition date:2024-07-18
Last modified:2025-07-25
Release date:2025-07-30
Identifier:4-ethyl-2,5-dimethyl-pyrazol-3-amine
A1IIR
A1IIR
Name:furan-2-yl(piperazin-1-yl)methanone
Formula:
SMILES:O=C(N1CCNCC1)c2occc2
InChi:InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
Definition date:2024-07-18
Last modified:2025-07-25
Release date:2025-07-30
Identifier:furan-2-yl(piperazin-1-yl)methanone
A1IIV
A1IIV
Name:1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
Formula:C10 H6 Cl3 N3
SMILES:Clc1ccc(C(Cl)=Cn2cncn2)c(Cl)c1
InChi:InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-
Definition date:2024-07-23
Last modified:2025-07-25
Release date:2025-07-30
Identifier:1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
A1IIW
A1IIW
Name:(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(2-chloroethyloxy)-2-(hydroxymethyl)-5-[4-[(imidazolidin-2-ylideneamino)methyl]-1,2,3-triazol-1-yl]oxane-3,4-diol
Formula:C14 H23 Cl N6 O5
SMILES:OC[CH]1O[CH](OCCCl)[CH]([CH](O)[CH]1O)n2cc(CN=C3NCCN3)nn2
InChi:InChI=1S/C14H23ClN6O5/c15-1-4-25-13-10(12(24)11(23)9(7-22)26-13)21-6-8(19-20-21)5-18-14-16-2-3-17-14/h6,9-13,22-24H,1-5,7H2,(H2,16,17,18)/t9-,10+,11-,12-,13+/m1/s1
Definition date:2024-07-24
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(2-chloroethyloxy)-2-(hydroxymethyl)-5-[4-[(imidazolidin-2-ylideneamino)methyl]-1,2,3-triazol-1-yl]oxane-3,4-diol
A1IKB
A1IKB
Name:5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
Formula:C21 H24 N4 O4
SMILES:ONC(=O)CCCCCCCNc1nc2cc(ccc2c3cnccc13)C(O)=O
InChi:InChI=1S/C21H24N4O4/c26-19(25-29)6-4-2-1-3-5-10-23-20-16-9-11-22-13-17(16)15-8-7-14(21(27)28)12-18(15)24-20/h7-9,11-13,29H,1-6,10H2,(H,23,24)(H,25,26)(H,27,28)
Synonyms:5-[[8-(hydroxyamino)-8-oxooctyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
Definition date:2024-08-06
Last modified:2025-07-25
Release date:2025-07-30
Identifier:5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
A1IVQ
A1IVQ
Name:[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
Formula:C27 H35 N3 O4 S
SMILES:CC(C)Cc1ccc(cc1)[S](=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4ccccc34
InChi:InChI=1S/C27H35N3O4S/c1-20(2)17-21-7-9-23(10-8-21)35(32,33)29-13-16-30-14-11-22(12-15-30)19-34-27(31)25-18-28-26-6-4-3-5-24(25)26/h3-10,18,20,22,28-29H,11-17,19H2,1-2H3
Definition date:2024-12-03
Last modified:2025-07-25
Release date:2025-07-30
Identifier:[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
A1IVR
A1IVR
Name:2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide
Formula:C10 H9 Cl N2 O
SMILES:NC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChi:InChI=1S/C10H9ClN2O/c11-7-1-2-9-8(4-7)6(5-13-9)3-10(12)14/h1-2,4-5,13H,3H2,(H2,12,14)
Definition date:2024-12-04
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide
A1IVT
A1IVT
Name:2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid
Formula:C10 H8 Cl N O2
SMILES:OC(=O)Cc1c[nH]c2cc(Cl)ccc12
InChi:InChI=1S/C10H8ClNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14)
Definition date:2024-12-05
Last modified:2025-07-25
Release date:2025-07-30
Identifier:2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid
A1JC3
A1JC3
Name:N-(2-methoxyethyl)-N-[[(3R)-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide
Formula:C26 H32 N2 O3 S
SMILES:COCCN(C[CH]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
InChi:InChI=1S/C26H32N2O3S/c1-31-17-16-28(32(29,30)26-14-13-24-11-5-6-12-25(24)18-26)21-23-10-7-15-27(20-23)19-22-8-3-2-4-9-22/h2-6,8-9,11-14,18,23H,7,10,15-17,19-21H2,1H3/t23-/m1/s1
Synonyms:N-([(3R)-1-benzylpiperidin-3-yl]methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide
Definition date:2025-05-10
Last modified:2025-07-25
Release date:2025-07-30
Identifier:~{N}-(2-methoxyethyl)-~{N}-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide
A1L4O
A1L4O
Name:(3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol
Formula:C40 H56 O3
SMILES:CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC=C(C)C=C[CH](O)C(C)(C)O
InChi:InChI=1S/C40H56O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-37-35(6)28-36(41)29-39(37,7)8/h11-27,36,38,41-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15-,26-24+,27-25-,30-16+,31-17+,32-20+,33-22+,34-23+/t36-,38+/m1/s1
Definition date:2024-10-03
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol
A1MAM
A1MAM
Name:(2~{R})-~{N}-[5-(5-cyano-6-propan-2-yloxy-pyridin-3-yl)-1-(trifluoromethyl)pyrazol-3-yl]-1-ethanoyl-4-propan-2-ylsulfonyl-piperazine-2-carboxamide
Formula:C23 H28 F3 N7 O5 S
SMILES:CC(C)Oc1ncc(cc1C#N)c2cc(NC(=O)[CH]3CN(CCN3C(C)=O)[S](=O)(=O)C(C)C)nn2C(F)(F)F
InChi:InChI=1S/C23H28F3N7O5S/c1-13(2)38-22-16(10-27)8-17(11-28-22)18-9-20(30-33(18)23(24,25)26)29-21(35)19-12-31(39(36,37)14(3)4)6-7-32(19)15(5)34/h8-9,11,13-14,19H,6-7,12H2,1-5H3,(H,29,30,35)/t19-/m1/s1
Definition date:2025-07-03
Last modified:2025-07-25
Release date:2025-07-30
Identifier:(2~{R})-~{N}-[5-(5-cyano-6-propan-2-yloxy-pyridin-3-yl)-1-(trifluoromethyl)pyrazol-3-yl]-1-ethanoyl-4-propan-2-ylsulfonyl-piperazine-2-carboxamide
DY0
DY0
Name:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:C17 H27 N5 O16 P2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17+/m1/s1
Definition date:2019-09-18
Last modified:2025-07-25
Release date:2025-07-30
Identifier:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
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

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