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XP2
XP2
Name:(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate
Formula:C51 H93 O24 P
SMILES:CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(OC2OC(COC(=O)CCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChi:InChI=1S/C51H93O24P/c1-4-7-10-13-15-17-20-22-25-35(53)67-29-32(70-37(55)27-24-19-12-9-6-3)30-69-76(65,66)75-49-47(73-50-45(63)40(58)38(56)33(28-52)71-50)43(61)42(60)44(62)48(49)74-51-46(64)41(59)39(57)34(72-51)31-68-36(54)26-23-21-18-16-14-11-8-5-2/h32-34,38-52,56-64H,4-31H2,1-3H3,(H,65,66)/t32-,33-,34-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51+/m1/s1
Definition date:2022-08-29
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate
IW9
IW9
Name:5-butoxy-4-ethoxypyrimidin-2-amine
Formula:C10 H17 N3 O2
SMILES:Nc1nc(OCC)c(cn1)OCCCC
InChi:InChI=1S/C10H17N3O2/c1-3-5-6-15-8-7-12-10(11)13-9(8)14-4-2/h7H,3-6H2,1-2H3,(H2,11,12,13)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-butoxy-4-ethoxypyrimidin-2-amine
IWC
IWC
Name:2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline
Formula:C20 H20 N4
SMILES:Cc1nc(nc(c1)N1CCCC1)/C=C/c1ccc2ccccc2n1
InChi:InChI=1S/C20H20N4/c1-15-14-20(24-12-4-5-13-24)23-19(21-15)11-10-17-9-8-16-6-2-3-7-18(16)22-17/h2-3,6-11,14H,4-5,12-13H2,1H3/b11-10+
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline
IWG
IWG
Name:5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole
Formula:C12 H7 Cl N2 O S
SMILES:Clc1ccc(Oc2cnns2)c2ccccc21
InChi:InChI=1S/C12H7ClN2OS/c13-10-5-6-11(16-12-7-14-15-17-12)9-4-2-1-3-8(9)10/h1-7H
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole
IWK
IWK
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C18 H21 N9 O3
SMILES:O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cc2nc(nn2cn1)N1CCOCC1
InChi:InChI=1S/C18H21N9O3/c1-24-15(12(10-20-24)17(29)25-3-2-4-25)16(28)21-13-9-14-22-18(23-27(14)11-19-13)26-5-7-30-8-6-26/h9-11H,2-8H2,1H3,(H,21,28)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
IWN
IWN
Name:4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C19 H18 N6 O2
SMILES:COCc1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
InChi:InChI=1S/C19H18N6O2/c1-24-17(14(11-20-24)12-27-2)19(26)21-15-8-9-25-16(10-15)22-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,26)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
IWS
IWS
Name:(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one
Formula:C10 H7 N3 O
SMILES:O=C1Nc2ccccc2c2nccn21
InChi:InChI=1S/C10H7N3O/c14-10-12-8-4-2-1-3-7(8)9-11-5-6-13(9)10/h1-6H,(H,12,14)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one
IWY
IWY
Name:ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate
Formula:C11 H17 N3 O3
SMILES:Cn1ncc(C(=O)OCC)c1C(=O)NCCC
InChi:InChI=1S/C11H17N3O3/c1-4-6-12-10(15)9-8(7-13-14(9)3)11(16)17-5-2/h7H,4-6H2,1-3H3,(H,12,15)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate
IX2
IX2
Name:2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole
Formula:C17 H16 Cl N3 O S
SMILES:Cc1c(Cl)c(C)cnc1CSc1nc2cc3OCCc3cc2[NH]1
InChi:InChI=1S/C17H16ClN3OS/c1-9-7-19-14(10(2)16(9)18)8-23-17-20-12-5-11-3-4-22-15(11)6-13(12)21-17/h5-7H,3-4,8H2,1-2H3,(H,20,21)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole
IX5
IX5
Name:1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine
Formula:C21 H23 N7 O2
SMILES:Cn1cc(nc1COc1nc(N2CCOCC2)c2cnn(C)c2n1)c1ccccc1
InChi:InChI=1S/C21H23N7O2/c1-26-13-17(15-6-4-3-5-7-15)23-18(26)14-30-21-24-19-16(12-22-27(19)2)20(25-21)28-8-10-29-11-9-28/h3-7,12-13H,8-11,14H2,1-2H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine
IXI
IXI
Name:5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide
Formula:C23 H21 N5 O2
SMILES:Cc1ccc(C)nc1C(=O)Nc1cc2nc([NH]c2cc1C(=O)NC)c1ccccc1
InChi:InChI=1S/C23H21N5O2/c1-13-9-10-14(2)25-20(13)23(30)28-17-12-19-18(11-16(17)22(29)24-3)26-21(27-19)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,24,29)(H,26,27)(H,28,30)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide
IXL
IXL
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C23 H26 N6 O2
SMILES:O=C(c1cnn(C)c1C(=O)NC1Cc2nc(cn2CC1)c1ccccc1C)N1CCC1
InChi:InChI=1S/C23H26N6O2/c1-15-6-3-4-7-17(15)19-14-29-11-8-16(12-20(29)26-19)25-22(30)21-18(13-24-27(21)2)23(31)28-9-5-10-28/h3-4,6-7,13-14,16H,5,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
IXT
IXT
Name:(2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide
Formula:C22 H23 Br N4 O4
SMILES:COc1cc(cc(OC)c1Br)/C=N/NC(=O)C(OCC)c1ccc(cc1)n1cccn1
InChi:InChI=1S/C22H23BrN4O4/c1-4-31-21(16-6-8-17(9-7-16)27-11-5-10-25-27)22(28)26-24-14-15-12-18(29-2)20(23)19(13-15)30-3/h5-14,21H,4H2,1-3H3,(H,26,28)/b24-14+/t21-/m0/s1
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide
IY2
IY2
Name:N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide
Formula:C21 H19 F N6 O2
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccc(F)cc1)N(C)C
InChi:InChI=1S/C21H19FN6O2/c1-26(2)21(30)16-11-23-27(3)19(16)20(29)24-15-8-9-28-12-17(25-18(28)10-15)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,24,29)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide
IY6
IY6
Name:(4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
Formula:C18 H22 F3 N7
SMILES:Cn1nc(nc1CCc1nn2c(C)c(C)nc2cc1C(F)(F)F)N1CCCC1
InChi:InChI=1S/C18H22F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
IYA
IYA
Name:N-[3-(3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}propoxy)phenyl]acetamide
Formula:C23 H20 F N3 O3 S
SMILES:CC(=O)Nc1cccc(c1)OCCCOc1ncnc2scc(c12)c1ccc(F)cc1
InChi:InChI=1S/C23H20FN3O3S/c1-15(28)27-18-4-2-5-19(12-18)29-10-3-11-30-22-21-20(13-31-23(21)26-14-25-22)16-6-8-17(24)9-7-16/h2,4-9,12-14H,3,10-11H2,1H3,(H,27,28)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[3-(3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}propoxy)phenyl]acetamide
IYD
IYD
Name:N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
Formula:C23 H24 N6 O3
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)CCOC
InChi:InChI=1S/C23H24N6O3/c1-27(11-12-32-3)23(31)18-14-24-28(2)21(18)22(30)25-17-9-10-29-15-19(26-20(29)13-17)16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,25,30)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
IYH
IYH
Name:6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid
Formula:C12 H11 N5 O2
SMILES:O=C(O)c1nc(cnc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C12H11N5O2/c18-12(19)10-11(16-8-3-13-6-14-4-8)15-5-9(17-10)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,18,19)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid
IYK
IYK
Name:2-chloro-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline
Formula:C19 H15 Cl N4 O
SMILES:Cn1cc(nc1COc1nc2ccccc2nc1Cl)c1ccccc1
InChi:InChI=1S/C19H15ClN4O/c1-24-11-16(13-7-3-2-4-8-13)21-17(24)12-25-19-18(20)22-14-9-5-6-10-15(14)23-19/h2-11H,12H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-chloro-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline
IYN
IYN
Name:2-methyl-3-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinoxaline
Formula:C20 H22 N4
SMILES:Cc1nc2ccccc2nc1CCC1CCN(C1)c1ncccc1
InChi:InChI=1S/C20H22N4/c1-15-17(23-19-7-3-2-6-18(19)22-15)10-9-16-11-13-24(14-16)20-8-4-5-12-21-20/h2-8,12,16H,9-11,13-14H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-methyl-3-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinoxaline
IYS
IYS
Name:2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Formula:C25 H19 N3 O4
SMILES:COc1ccc(cc1)N1C(=O)c2ccccc2N=C1CCN1C(=O)c2ccccc2C1=O
InChi:InChI=1S/C25H19N3O4/c1-32-17-12-10-16(11-13-17)28-22(26-21-9-5-4-8-20(21)25(28)31)14-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-13H,14-15H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
IYW
IYW
Name:1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
Formula:C20 H16 N4 O
SMILES:O=C1C=CN(Cc2ccccc2)N=C1c1ccnn1c1ccccc1
InChi:InChI=1S/C20H16N4O/c25-19-12-14-23(15-16-7-3-1-4-8-16)22-20(19)18-11-13-21-24(18)17-9-5-2-6-10-17/h1-14H,15H2
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
IZ6
IZ6
Name:1-phenyl-3-(1-phenyl-1H-pyrazol-5-yl)-5,6-dihydropyridazin-4(1H)-one
Formula:C19 H16 N4 O
SMILES:O=C1CCN(N=C1c1ccnn1c1ccccc1)c1ccccc1
InChi:InChI=1S/C19H16N4O/c24-18-12-14-22(15-7-3-1-4-8-15)21-19(18)17-11-13-20-23(17)16-9-5-2-6-10-16/h1-11,13H,12,14H2
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-phenyl-3-(1-phenyl-1H-pyrazol-5-yl)-5,6-dihydropyridazin-4(1H)-one
IZH
IZH
Name:(4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-c]pyrimidine
Formula:C17 H21 F3 N8
SMILES:FC(F)(F)C1CCCN1c1nc(CCc2nc3c(C)cnc(C)n3n2)n(C)n1
InChi:InChI=1S/C17H21F3N8/c1-10-9-21-11(2)28-15(10)22-13(24-28)6-7-14-23-16(25-26(14)3)27-8-4-5-12(27)17(18,19)20/h9,12H,4-8H2,1-3H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-c]pyrimidine
IZK
IZK
Name:4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C20 H19 Cl N6 O
SMILES:Clc1cnn(CC(C)C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1
InChi:InChI=1S/C20H19ClN6O/c1-13(2)11-27-18(15(21)10-22-27)19(28)24-17-8-9-26-12-16(23-20(26)25-17)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,23,24,25,28)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide

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數據於2024-07-24公開中

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