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A1IVK
A1IVK
Name:(2~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5-chloranylpyridin-3-yl)carbonyl-~{N}-ethyl-1,4-diazepane-2-carboxamide
Formula:C23 H28 Br Cl N4 O2
SMILES:CCNC(=O)[CH]1CN(CCCN1C(=O)c2cncc(Cl)c2)Cc3ccc(Br)cc3CC
InChi:InChI=1S/C23H28BrClN4O2/c1-3-16-10-19(24)7-6-17(16)14-28-8-5-9-29(21(15-28)22(30)27-4-2)23(31)18-11-20(25)13-26-12-18/h6-7,10-13,21H,3-5,8-9,14-15H2,1-2H3,(H,27,30)/t21-/m1/s1
Definition date:2024-11-29
Last modified:2024-12-06
Release date:2024-12-11
Identifier:(2~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5-chloranylpyridin-3-yl)carbonyl-~{N}-ethyl-1,4-diazepane-2-carboxamide
A1L0Y
A1L0Y
Name:7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one
Formula:C34 H30 F N3 O4
SMILES:CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)c4ccccc4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O
InChi:InChI=1S/C34H30FN3O4/c1-19-13-23(35)14-20(2)30(19)41-28-12-11-22(34(3,4)40)15-24(28)26-18-38(5)33(39)25-16-29(42-31(25)26)27-17-36-32(37-27)21-9-7-6-8-10-21/h6-18,40H,1-5H3,(H,36,37)
Definition date:2024-04-19
Last modified:2024-12-06
Release date:2024-12-11
Identifier:7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-2-(2-phenyl-1~{H}-imidazol-5-yl)furo[3,2-c]pyridin-4-one
A1L1X
A1L1X
Name:2-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
Formula:C32 H34 F N3 O5
SMILES:CCc1[nH]c(c(COC)n1)c2oc3c(c2)C(=O)N(C)C=C3c4cc(ccc4Oc5c(C)cc(F)cc5C)C(C)(C)O
InChi:InChI=1S/C32H34FN3O5/c1-8-27-34-24(16-39-7)28(35-27)26-14-22-30(41-26)23(15-36(6)31(22)37)21-13-19(32(4,5)38)9-10-25(21)40-29-17(2)11-20(33)12-18(29)3/h9-15,38H,8,16H2,1-7H3,(H,34,35)
Definition date:2024-05-23
Last modified:2024-12-06
Release date:2024-12-11
Identifier:2-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
A1LYQ
A1LYQ
Name:SAR247799
Formula:C21 H16 Cl N3 O5
SMILES:Cc1cc(cc(C)c1OCC(O)=O)c2oc3nc(Oc4cccc(Cl)c4)ncc3n2
InChi:InChI=1S/C21H16ClN3O5/c1-11-6-13(7-12(2)18(11)28-10-17(26)27)19-24-16-9-23-21(25-20(16)30-19)29-15-5-3-4-14(22)8-15/h3-9H,10H2,1-2H3,(H,26,27)
Synonyms:2-[4-[5-(3-chloranylphenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethyl-phenoxy]ethanoic acid
Definition date:2024-03-04
Last modified:2024-12-06
Release date:2024-12-11
Identifier:2-[4-[5-(3-chloranylphenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethyl-phenoxy]ethanoic acid
YA9
YA9
Name:4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Formula:C32 H24 N6 O6 S2
SMILES:Nc1c(cc(c2ccccc12)[S](O)(=O)=O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S](O)(=O)=O
InChi:InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/b37-35+,38-36+
Definition date:2023-11-28
Last modified:2024-12-03
Release date:2024-09-11
Identifier:4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
THM
THM
Name:THYMIDINE
Formula:C10 H14 N2 O5
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO
InChi:InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
Synonyms:DEOXYTHYMIDINE
Definition date:1999-07-08
Last modified:2024-12-02
Identifier:thymidine
YDW
YDW
Name:~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
Formula:C22 H17 F3 N4 O2
SMILES:CNC(=O)c1cccc(CN2C=Cc3cc(ccc3C2=O)c4cn[nH]c4C(F)(F)F)c1
InChi:InChI=1S/C22H17F3N4O2/c1-26-20(30)16-4-2-3-13(9-16)12-29-8-7-15-10-14(5-6-17(15)21(29)31)18-11-27-28-19(18)22(23,24)25/h2-11H,12H2,1H3,(H,26,30)(H,27,28)
Synonyms:GNS-2591
Definition date:2023-11-30
Last modified:2024-11-29
Release date:2024-12-04
Identifier:~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
YEA
YEA
Name:3-fluoranyl-~{N}-methyl-5-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
Formula:C22 H16 F4 N4 O2
SMILES:CNC(=O)c1cc(F)cc(CN2C=Cc3cc(ccc3C2=O)c4cn[nH]c4C(F)(F)F)c1
InChi:InChI=1S/C22H16F4N4O2/c1-27-20(31)15-6-12(7-16(23)9-15)11-30-5-4-14-8-13(2-3-17(14)21(30)32)18-10-28-29-19(18)22(24,25)26/h2-10H,11H2,1H3,(H,27,31)(H,28,29)
Definition date:2023-11-30
Last modified:2024-11-29
Release date:2024-12-04
Identifier:3-fluoranyl-~{N}-methyl-5-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
YEI
YEI
Name:~{N}-methyl-3-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
Formula:C22 H19 N3 O3
SMILES:CNC(=O)c1cccc(CN2C=Cc3cc(ccc3C2=O)c4conc4C)c1
InChi:InChI=1S/C22H19N3O3/c1-14-20(13-28-24-14)16-6-7-19-17(11-16)8-9-25(22(19)27)12-15-4-3-5-18(10-15)21(26)23-2/h3-11,13H,12H2,1-2H3,(H,23,26)
Definition date:2023-11-30
Last modified:2024-11-29
Release date:2024-12-04
Identifier:~{N}-methyl-3-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
YEW
YEW
Name:~{N}-methyl-3-[[6-(2-methylpyrazol-3-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
Formula:C22 H20 N4 O2
SMILES:CNC(=O)c1cccc(CN2C=Cc3cc(ccc3C2=O)c4ccnn4C)c1
InChi:InChI=1S/C22H20N4O2/c1-23-21(27)18-5-3-4-15(12-18)14-26-11-9-16-13-17(6-7-19(16)22(26)28)20-8-10-24-25(20)2/h3-13H,14H2,1-2H3,(H,23,27)
Definition date:2023-11-30
Last modified:2024-11-29
Release date:2024-12-04
Identifier:~{N}-methyl-3-[[6-(2-methylpyrazol-3-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
H2I
H2I
Name:~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide
Formula:C19 H15 N O6
SMILES:Oc1ccc(CNC(=O)C2=Cc3ccc(O)c(O)c3C(=O)C(=C2)O)cc1
InChi:InChI=1S/C19H15NO6/c21-13-4-1-10(2-5-13)9-20-19(26)12-7-11-3-6-14(22)17(24)16(11)18(25)15(23)8-12/h1-8,21-22,24H,9H2,(H,20,26)(H,23,25)
Definition date:2023-07-21
Last modified:2024-11-29
Release date:2024-12-04
Identifier:~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide
XY8
XY8
Name:3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
Formula:C22 H26 F2 N6
SMILES:CC(C)Nc1nc2cc(C)ncc2nc1N1CCN(Cc2ccc(F)cc2F)CC1
InChi:InChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27)
Definition date:2023-06-05
Last modified:2024-11-29
Release date:2024-12-04
Identifier:3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
X5U
X5U
Name:(S)-alpha-methyl-4-Iodophenylalanine
Formula:C10 H12 I N O2
SMILES:C[C](N)(Cc1ccc(I)cc1)C(O)=O
InChi:InChI=1S/C10H12INO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1
Synonyms:(2S)-2-azanyl-3-(4-iodophenyl)-2-methyl-propanoic acid
Definition date:2023-10-23
Last modified:2024-11-29
Release date:2024-12-04
Identifier:(2~{S})-2-azanyl-3-(4-iodophenyl)-2-methyl-propanoic acid
X7T
X7T
Name:1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3R)-oxolan-3-yl]amino}-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethan-1-one
Formula:C24 H29 F2 N5 O3
SMILES:Fc1ccc(OC2CCN(CC2)c2nc3CCN(Cc3nc2NC2CCOC2)C(C)=O)c(F)c1
InChi:InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1
Definition date:2023-06-05
Last modified:2024-11-29
Release date:2024-12-04
Identifier:1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3R)-oxolan-3-yl]amino}-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethan-1-one
IB0
IB0
Name:(7-methyl-2,3-dihydroindol-1-yl)-(1,2,3-triazol-1-yl)methanone
Formula:C12 H12 N4 O
SMILES:Cc1cccc2CCN(C(=O)n3ccnn3)c12
InChi:InChI=1S/C12H12N4O/c1-9-3-2-4-10-5-7-15(11(9)10)12(17)16-8-6-13-14-16/h2-4,6,8H,5,7H2,1H3
Definition date:2022-06-24
Last modified:2024-11-29
Release date:2024-12-04
Identifier:(7-methyl-2,3-dihydroindol-1-yl)-(1,2,3-triazol-1-yl)methanone
K0O
K0O
Name:Aspterric Acid
Formula:C15 H22 O4
SMILES:CC(C)=C1CC[C]23CO[CH](C2)[C](O)(CC[CH]13)C(O)=O
InChi:InChI=1S/C15H22O4/c1-9(2)10-3-5-14-7-12(19-8-14)15(18,13(16)17)6-4-11(10)14/h11-12,18H,3-8H2,1-2H3,(H,16,17)/t11-,12+,14+,15+/m0/s1
Synonyms:(1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid
Definition date:2022-09-02
Last modified:2024-11-29
Release date:2024-12-04
Identifier:(1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid
A1AQR
A1AQR
Name:(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide
Formula:C19 H21 Br N4 O
SMILES:CC(C)=C/C1C(C(=O)Nc2nc(Br)c(cc2)c2ncccn2)C1(C)C
InChi:InChI=1S/C19H21BrN4O/c1-11(2)10-13-15(19(13,3)4)18(25)24-14-7-6-12(16(20)23-14)17-21-8-5-9-22-17/h5-10,13,15H,1-4H3,(H,23,24,25)/t13-,15+/m0/s1
Definition date:2024-05-01
Last modified:2024-11-29
Release date:2024-12-04
Identifier:(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide
A1BH8
A1BH8
Name:4-({(ethanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)-N-hydroxybenzamide
Formula:C16 H19 N3 O4 S
SMILES:ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(=O)(=O)CC
InChi:InChI=1S/C16H19N3O4S/c1-2-24(22,23)19(12-14-4-3-9-17-10-14)11-13-5-7-15(8-6-13)16(20)18-21/h3-10,21H,2,11-12H2,1H3,(H,18,20)
Definition date:2024-11-22
Last modified:2024-11-29
Release date:2024-12-04
Identifier:4-({(ethanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)-N-hydroxybenzamide
A1BH9
A1BH9
Name:N-hydroxy-4-({[(pyridin-3-yl)methyl](thiophene-3-sulfonyl)amino}methyl)benzamide
Formula:C18 H17 N3 O4 S2
SMILES:O=S(=O)(N(Cc1ccc(cc1)C(=O)NO)Cc1cccnc1)c1ccsc1
InChi:InChI=1S/C18H17N3O4S2/c22-18(20-23)16-5-3-14(4-6-16)11-21(12-15-2-1-8-19-10-15)27(24,25)17-7-9-26-13-17/h1-10,13,23H,11-12H2,(H,20,22)
Definition date:2024-11-22
Last modified:2024-11-29
Release date:2024-12-04
Identifier:N-hydroxy-4-({[(pyridin-3-yl)methyl](thiophene-3-sulfonyl)amino}methyl)benzamide
A1BHX
A1BHX
Name:N-hydroxy-4-({(propane-2-sulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
Formula:C17 H21 N3 O4 S
SMILES:ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(=O)(=O)C(C)C
InChi:InChI=1S/C17H21N3O4S/c1-13(2)25(23,24)20(12-15-4-3-9-18-10-15)11-14-5-7-16(8-6-14)17(21)19-22/h3-10,13,22H,11-12H2,1-2H3,(H,19,21)
Definition date:2024-11-21
Last modified:2024-11-29
Release date:2024-12-04
Identifier:N-hydroxy-4-({(propane-2-sulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
A1BHY
A1BHY
Name:N-hydroxy-4-({(methanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
Formula:C15 H17 N3 O4 S
SMILES:ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(C)(=O)=O
InChi:InChI=1S/C15H17N3O4S/c1-23(21,22)18(11-13-3-2-8-16-9-13)10-12-4-6-14(7-5-12)15(19)17-20/h2-9,20H,10-11H2,1H3,(H,17,19)
Definition date:2024-11-21
Last modified:2024-11-29
Release date:2024-12-04
Identifier:N-hydroxy-4-({(methanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
A1D5Q
A1D5Q
Name:[(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate
Formula:C43 H81 O13 P
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC
InChi:InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38-,39-,40-,41+,42+,43+/m1/s1
Definition date:2024-01-30
Last modified:2024-11-29
Release date:2024-12-04
Identifier:[(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate
A1EAG
A1EAG
Name:8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanone
Formula:C16 H23 N3 O3 S
SMILES:O[CH]1CCN(C1)c2sc(cn2)C(=O)N3CCC4(CCOCC4)C3
InChi:InChI=1S/C16H23N3O3S/c20-12-1-5-18(10-12)15-17-9-13(23-15)14(21)19-6-2-16(11-19)3-7-22-8-4-16/h9,12,20H,1-8,10-11H2/t12-/m0/s1
Definition date:2024-08-08
Last modified:2024-11-29
Release date:2024-12-04
Identifier:8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanone
A1EAU
A1EAU
Name:~{N}2,~{N}6-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]naphthalene-2,6-dicarboxamide
Formula:C32 H46 N2 O16
SMILES:OC[CH]1O[CH](OCCOCCNC(=O)c2ccc3cc(ccc3c2)C(=O)NCCOCCO[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C32H46N2O16/c35-15-21-23(37)25(39)27(41)31(49-21)47-11-9-45-7-5-33-29(43)19-3-1-17-13-20(4-2-18(17)14-19)30(44)34-6-8-46-10-12-48-32-28(42)26(40)24(38)22(16-36)50-32/h1-4,13-14,21-28,31-32,35-42H,5-12,15-16H2,(H,33,43)(H,34,44)/t21-,22-,23-,24-,25+,26+,27+,28+,31+,32+/m1/s1
Definition date:2024-08-19
Last modified:2024-11-29
Release date:2024-12-04
Identifier:~{N}2,~{N}6-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]naphthalene-2,6-dicarboxamide
A1EAV
A1EAV
Name:1,10-phenanthroline-2,9-dicarboxylic acid
Formula:C14 H8 N2 O4
SMILES:OC(=O)c1ccc2ccc3ccc(nc3c2n1)C(O)=O
InChi:InChI=1S/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)
Definition date:2024-08-19
Last modified:2024-11-29
Release date:2024-12-04
Identifier:1,10-phenanthroline-2,9-dicarboxylic acid

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