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GKI
GKI
Name:1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
Formula:C19 H28 N4 O S
SMILES:CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3
InChi:InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3
Definition date:2022-02-03
Last modified:2022-09-23
Release date:2022-09-28
Identifier:1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
GQF
GQF
Name:1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
Formula:C19 H26 N4 O S
SMILES:CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4
InChi:InChI=1S/C19H26N4OS/c1-12-16(13(2)24)17(14-5-3-4-6-14)18(21-12)15-11-25-19(22-15)23-9-7-20-8-10-23/h11,14,20-21H,3-10H2,1-2H3
Definition date:2022-02-03
Last modified:2022-09-23
Release date:2022-09-28
Identifier:1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
GQX
GQX
Name:2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine
Formula:C13 H15 N5 O S
SMILES:Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3
InChi:InChI=1S/C13H15N5OS/c1-6-10-7(3-2-4-9(10)19)11(16-6)8-5-20-13(17-8)18-12(14)15/h5,16H,2-4H2,1H3,(H4,14,15,17,18)
Definition date:2022-02-03
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine
I1A
I1A
Name:dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
Formula:C23 H29 N O6
SMILES:COC(=O)C(CC=C)(Cc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12)C(=O)OC
InChi:InChI=1S/C23H29NO6/c1-8-13-23(19(25)28-6,20(26)29-7)14-17-15(2)24(21(27)30-22(3,4)5)18-12-10-9-11-16(17)18/h8-12H,1,13-14H2,2-7H3
Definition date:2022-05-30
Last modified:2022-09-23
Release date:2022-09-28
Identifier:dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
LQ6
LQ6
Name:(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:C21 H19 Cl2 N5 O4 S
SMILES:Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)C4=CC(=O)NC(=O)N4
InChi:InChI=1S/C21H19Cl2N5O4S/c22-14-4-3-12(8-15(14)23)28-6-5-27(20(31)16-9-18(29)26-21(32)25-16)11-17(28)19(30)24-10-13-2-1-7-33-13/h1-4,7-9,17H,5-6,10-11H2,(H,24,30)(H2,25,26,29,32)/t17-/m0/s1
Definition date:2022-07-07
Last modified:2022-09-23
Release date:2022-09-28
Identifier:(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
LQL
LQL
Name:(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:C22 H20 Cl2 N4 O2 S
SMILES:Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)c4cccnc4
InChi:InChI=1S/C22H20Cl2N4O2S/c23-18-6-5-16(11-19(18)24)28-9-8-27(22(30)15-3-1-7-25-12-15)14-20(28)21(29)26-13-17-4-2-10-31-17/h1-7,10-12,20H,8-9,13-14H2,(H,26,29)/t20-/m0/s1
Definition date:2022-07-07
Last modified:2022-09-23
Release date:2022-09-28
Identifier:(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
FI5
FI5
Name:4-piperidin-4-yloxypyridine-2-carboxamide
Formula:C11 H15 N3 O2
SMILES:NC(=O)c1cc(OC2CCNCC2)ccn1
InChi:InChI=1S/C11H15N3O2/c12-11(15)10-7-9(3-6-14-10)16-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H2,12,15)
Definition date:2022-01-24
Last modified:2022-09-23
Release date:2022-09-28
Identifier:4-piperidin-4-yloxypyridine-2-carboxamide
FI9
FI9
Name:5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one
Formula:C11 H15 N3 O2
SMILES:NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2
InChi:InChI=1S/C11H15N3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8/h1-2,7,9H,3-6,12H2,(H,13,15)
Definition date:2022-01-24
Last modified:2022-09-23
Release date:2022-09-28
Identifier:5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one
FIY
FIY
Name:2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine
Formula:C13 H17 N5 O S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2
InChi:InChI=1S/C13H17N5OS/c1-4-8-10(7(3)19)6(2)16-11(8)9-5-20-13(17-9)18-12(14)15/h5,16H,4H2,1-3H3,(H4,14,15,17,18)
Definition date:2022-01-24
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine
KFC
KFC
Name:~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide
Formula:C22 H23 N3 O
SMILES:Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4
InChi:InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)
Definition date:2022-05-25
Last modified:2022-09-23
Release date:2022-09-28
Identifier:~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide
I5G
I5G
Name:1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide
Formula:C23 H20 Cl2 N4 O3
SMILES:COc1cc2c(Cl)nccc2cc1C(=O)N[CH]([CH]3C[CH](O)CN3)c4ccc(C#N)c(Cl)c4
InChi:InChI=1S/C23H20Cl2N4O3/c1-32-20-9-16-12(4-5-27-22(16)25)6-17(20)23(31)29-21(19-8-15(30)11-28-19)13-2-3-14(10-26)18(24)7-13/h2-7,9,15,19,21,28,30H,8,11H2,1H3,(H,29,31)/t15-,19+,21-/m0/s1
Definition date:2022-06-10
Last modified:2022-09-23
Release date:2022-09-28
Identifier:1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide
5L1
5L1
Name:11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
Formula:C29 H24 F2 N7 Pt
SMILES:Cn1cc[n](c2ccccn2)c1[Pt](c3cc(F)cc(F)c3c4ccccn4)c5n(cc[n]5C)c6ccccn6
InChi:InChI=1S/C11H6F2N.2C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11
Definition date:2021-08-19
Last modified:2022-09-23
Release date:2022-09-28
Identifier:11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
JRP
JRP
Name:(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one
Formula:C13 H13 N O2
SMILES:O=C1Nc2ccccc2[C]34OCC[CH]3C[CH]14
InChi:InChI=1S/C13H13NO2/c15-12-10-7-8-5-6-16-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13+/m1/s1
Synonyms:(3aS,4aR,10bR)-3,3a,4,4a-tetrahydro-2H-furo[2',3':2,3]cyclobuta[1,2-c]quinolin-5(6H)-one
Definition date:2022-05-09
Last modified:2022-09-23
Release date:2022-09-28
Identifier:(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one
7I4
7I4
Name:1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
Formula:C23 H24 F N3 O3
SMILES:CC(C)Cc1ccc(cc1)c2onc(n2)c3ccc(CN4CC(C4)C(O)=O)c(F)c3
InChi:InChI=1S/C23H24FN3O3/c1-14(2)9-15-3-5-16(6-4-15)22-25-21(26-30-22)17-7-8-18(20(24)10-17)11-27-12-19(13-27)23(28)29/h3-8,10,14,19H,9,11-13H2,1-2H3,(H,28,29)
Definition date:2021-10-01
Last modified:2022-09-23
Release date:2022-09-28
Identifier:1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
7IJ
7IJ
Name:3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one
Formula:C21 H19 N O5
SMILES:Oc1ccc2c(OC(=O)c3c2oc4ccc(O)c(CN5CCCCC5)c34)c1
InChi:InChI=1S/C21H19NO5/c23-12-4-5-13-17(10-12)27-21(25)19-18-14(11-22-8-2-1-3-9-22)15(24)6-7-16(18)26-20(13)19/h4-7,10,23-24H,1-3,8-9,11H2
Definition date:2021-10-05
Last modified:2022-09-23
Release date:2022-09-28
Identifier:3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one
80S
80S
Name:2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
Formula:C22 H17 Cl2 N3 O4 S
SMILES:C[CH](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4
InChi:InChI=1S/C22H17Cl2N3O4S/c1-10-16(23)17(24)19(25-10)20(28)27-22-26-18-14(8-13(21(29)30)9-15(18)32-22)31-11(2)12-6-4-3-5-7-12/h3-9,11,25H,1-2H3,(H,29,30)(H,26,27,28)/t11-/m0/s1
Definition date:2021-09-21
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-[(1~{S})-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
81N
81N
Name:2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
Formula:C22 H17 Cl2 N3 O4 S
SMILES:C[CH](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4
InChi:InChI=1S/C22H17Cl2N3O4S/c1-10-16(23)17(24)19(25-10)20(28)27-22-26-18-14(8-13(21(29)30)9-15(18)32-22)31-11(2)12-6-4-3-5-7-12/h3-9,11,25H,1-2H3,(H,29,30)(H,26,27,28)/t11-/m1/s1
Definition date:2021-09-26
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-[(1~{R})-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
QH7
QH7
Name:2,3,6-trifluoro-N-hydroxybenzamide
Formula:C7 H4 F3 N O2
SMILES:Fc1c(C(=O)NO)c(F)ccc1F
InChi:InChI=1S/C7H4F3NO2/c8-3-1-2-4(9)6(10)5(3)7(12)11-13/h1-2,13H,(H,11,12)
Definition date:2022-06-10
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2,3,6-trifluoro-N-hydroxybenzamide
QHO
QHO
Name:2,3,5-trifluoro-N-hydroxybenzamide
Formula:C7 H4 F3 N O2
SMILES:Fc1c(cc(F)cc1F)C(=O)NO
InChi:InChI=1S/C7H4F3NO2/c8-3-1-4(7(12)11-13)6(10)5(9)2-3/h1-2,13H,(H,11,12)
Definition date:2022-06-10
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2,3,5-trifluoro-N-hydroxybenzamide
QHX
QHX
Name:3,5-difluoro-N-hydroxybenzamide
Formula:C7 H5 F2 N O2
SMILES:Fc1cc(cc(F)c1)C(=O)NO
InChi:InChI=1S/C7H5F2NO2/c8-5-1-4(7(11)10-12)2-6(9)3-5/h1-3,12H,(H,10,11)
Definition date:2022-06-10
Last modified:2022-09-23
Release date:2022-09-28
Identifier:3,5-difluoro-N-hydroxybenzamide
QI5
QI5
Name:2,3,4,5,6-pentafluoro-N-hydroxybenzamide
Formula:C7 H2 F5 N O2
SMILES:Fc1c(c(F)c(F)c(F)c1F)C(=O)NO
InChi:InChI=1S/C7H2F5NO2/c8-2-1(7(14)13-15)3(9)5(11)6(12)4(2)10/h15H,(H,13,14)
Definition date:2022-06-10
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2,3,4,5,6-pentafluoro-N-hydroxybenzamide
QI8
QI8
Name:2,3,5,6-tetrafluoro-N-hydroxybenzamide
Formula:C7 H3 F4 N O2
SMILES:Fc1c(C(=O)NO)c(F)c(F)cc1F
InChi:InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13)
Definition date:2022-06-10
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2,3,5,6-tetrafluoro-N-hydroxybenzamide
8FI
8FI
Name:2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
Formula:C17 H14 F3 N3 O2
SMILES:FC(F)(F)c1ccc(NCCc2[NH]nc3ccccc23)c(c1)C(=O)O
InChi:InChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-6-13(12(9-10)16(24)25)21-8-7-15-11-3-1-2-4-14(11)22-23-15/h1-6,9,21H,7-8H2,(H,22,23)(H,24,25)
Definition date:2021-09-16
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
8IL
8IL
Name:2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
Formula:C18 H15 F3 N2 O2
SMILES:FC(F)(F)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O
InChi:InChI=1S/C18H15F3N2O2/c19-18(20,21)12-5-6-16(14(9-12)17(24)25)22-8-7-11-10-23-15-4-2-1-3-13(11)15/h1-6,9-10,22-23H,7-8H2,(H,24,25)
Definition date:2021-09-20
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
8IQ
8IQ
Name:2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid
Formula:C18 H15 F3 N2 O3
SMILES:FC(F)(F)Oc1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O
InChi:InChI=1S/C18H15F3N2O3/c19-18(20,21)26-12-5-6-16(14(9-12)17(24)25)22-8-7-11-10-23-15-4-2-1-3-13(11)15/h1-6,9-10,22-23H,7-8H2,(H,24,25)
Definition date:2021-09-20
Last modified:2022-09-23
Release date:2022-09-28
Identifier:2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid

236963

数据于2025-06-04公开中

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