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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
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
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
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
A1H0A
A1H0A
Name:4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide
Formula:C9 H20 B N2 O5
SMILES:N[CH]1CN[C](CCCC[B-](O)(O)O)(C1)C(O)=O
InChi:InChI=1S/C9H20BN2O5/c11-7-5-9(8(13)14,12-6-7)3-1-2-4-10(15,16)17/h7,12,15-17H,1-6,11H2,(H,13,14)/q-1/t7-,9-/m1/s1
Definition date:2023-12-14
Last modified:2024-11-29
Release date:2024-12-04
Identifier:4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide
A1H0B
A1H0B
Name:(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid
Formula:C8 H16 B N O4
SMILES:OB(O)CCC[CH]1CCN[CH]1C(O)=O
InChi:InChI=1S/C8H16BNO4/c11-8(12)7-6(3-5-10-7)2-1-4-9(13)14/h6-7,10,13-14H,1-5H2,(H,11,12)/t6-,7+/m1/s1
Definition date:2023-12-14
Last modified:2024-11-29
Release date:2024-12-04
Identifier:(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid
A1IKY
A1IKY
Name:~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidine-2-carboxamide
Formula:C20 H26 N4 O4 S
SMILES:ONC(=O)CCCCCONC(=O)c1scc(n1)c2ccc(cc2)N3CCCC3
InChi:InChI=1S/C20H26N4O4S/c25-18(22-27)6-2-1-5-13-28-23-19(26)20-21-17(14-29-20)15-7-9-16(10-8-15)24-11-3-4-12-24/h7-10,14,27H,1-6,11-13H2,(H,22,25)(H,23,26)
Definition date:2024-08-14
Last modified:2024-11-29
Release date:2024-12-04
Identifier:~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-2-carboxamide
A1IMY
A1IMY
Name:(1S,3S,4S)-N-[(2S)-1-azanylidene-3-[(3S)-5,5-dimethyl-2-oxidanylidene-pyrrolidin-3-yl]propan-2-yl]-2-[(2R)-3-cyclobutyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]-5,5-bis(fluoranyl)-2-azabicyclo[2.2.2]octane-3-carboxamide
Formula:C26 H36 F5 N5 O4
SMILES:CC1(C)C[CH](C[CH](NC(=O)[CH]2[CH]3CC[CH](CC3(F)F)N2C(=O)[CH](CC4CCC4)NC(=O)C(F)(F)F)C=N)C(=O)N1
InChi:InChI=1S/C26H36F5N5O4/c1-24(2)10-14(20(37)35-24)9-15(12-32)33-21(38)19-17-7-6-16(11-25(17,27)28)36(19)22(39)18(8-13-4-3-5-13)34-23(40)26(29,30)31/h12-19,32H,3-11H2,1-2H3,(H,33,38)(H,34,40)(H,35,37)/t14-,15-,16-,17-,18+,19-/m0/s1
Definition date:2024-08-28
Last modified:2024-11-29
Release date:2024-12-04
Identifier:(1~{S},3~{S},4~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-5,5-dimethyl-2-oxidanylidene-pyrrolidin-3-yl]propan-2-yl]-2-[(2~{R})-3-cyclobutyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]-5,5-bis(fluoranyl)-2-azabicyclo[2.2.2]octane-3-carboxamide
A1ISA
A1ISA
Name:5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
Formula:C22 H20 N4 O2
SMILES:CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccccc4OC)ncc13
InChi:InChI=1S/C22H20N4O2/c1-3-15-13-20(27)26(16-9-5-4-6-10-16)21-17(15)14-23-22(25-21)24-18-11-7-8-12-19(18)28-2/h4-14H,3H2,1-2H3,(H,23,24,25)
Definition date:2024-10-23
Last modified:2024-11-29
Release date:2024-12-04
Identifier:5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
A1IU4
A1IU4
Name:8-(carboxyamino)-4-oxidanyl-quinoline-2-carboxylic acid
Formula:C11 H8 N2 O5
SMILES:OC(=O)Nc1cccc2c(O)cc(nc12)C(O)=O
InChi:InChI=1S/C11H8N2O5/c14-8-4-7(10(15)16)12-9-5(8)2-1-3-6(9)13-11(17)18/h1-4,13H,(H,12,14)(H,15,16)(H,17,18)
Definition date:2024-11-25
Last modified:2024-11-29
Release date:2024-12-04
Identifier:8-(carboxyamino)-4-oxidanyl-quinoline-2-carboxylic acid
A1LU9
A1LU9
Name:N-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide
Formula:C15 H14 N2 O4
SMILES:CC(=O)Nc1ccc(NC(=O)c2oc(cc2)C(C)=O)cc1
InChi:InChI=1S/C15H14N2O4/c1-9(18)13-7-8-14(21-13)15(20)17-12-5-3-11(4-6-12)16-10(2)19/h3-8H,1-2H3,(H,16,19)(H,17,20)
Definition date:2023-12-17
Last modified:2024-11-29
Release date:2024-12-04
Identifier:~{N}-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide
A1LVA
A1LVA
Name:N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide
Formula:C17 H19 Cl N2 O5 S2
SMILES:COc1ccc(C)cc1[S](=O)(=O)Nc2ccc(Cl)c(c2)N3CCC[S]3(=O)=O
InChi:InChI=1S/C17H19ClN2O5S2/c1-12-4-7-16(25-2)17(10-12)27(23,24)19-13-5-6-14(18)15(11-13)20-8-3-9-26(20,21)22/h4-7,10-11,19H,3,8-9H2,1-2H3
Definition date:2023-12-17
Last modified:2024-11-29
Release date:2024-12-04
Identifier:~{N}-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide
A1LVV
A1LVV
Name:LL-D49194alpha1
Formula:C48 H66 O22
SMILES:CO[CH](O[CH]1C[C](C)(O)[CH](O[CH]2C[C](C)(O)[CH](O)[CH](C)O2)[CH](C)O1)[C]34O[CH]5[CH](O3)[C](OC)(Oc6c5c(C)cc7c(OC)c8[CH](C[CH](O)C(=O)c8c(O)c67)O[CH]9C[C](C)(O)[CH](OC(C)=O)[CH](C)O9)[C]4(C)O
InChi:InChI=1S/C48H66O22/c1-18-13-23-30(34(52)32-31(35(23)58-10)25(14-24(50)33(32)51)65-26-16-44(7,55)39(20(3)62-26)64-22(5)49)36-29(18)37-41-47(60-12,68-36)46(9,57)48(69-37,70-41)42(59-11)67-28-17-45(8,56)40(21(4)63-28)66-27-15-43(6,54)38(53)19(2)61-27/h13,19-21,24-28,37-42,50,52-57H,14-17H2,1-12H3/t19-,20-,21-,24-,25-,26-,27-,28-,37-,38+,39+,40+,41-,42+,43+,44+,45+,46-,47+,48-/m0/s1
Definition date:2024-01-09
Last modified:2024-11-29
Release date:2024-12-04
A1LYJ
A1LYJ
Name:(5E)-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Formula:C12 H12 N2 O3 S
SMILES:COc1cccc(C=C2SC(=N)NC2=O)c1OC
InChi:InChI=1S/C12H12N2O3S/c1-16-8-5-3-4-7(10(8)17-2)6-9-11(15)14-12(13)18-9/h3-6H,1-2H3,(H2,13,14,15)/b9-6+
Definition date:2024-02-20
Last modified:2024-11-29
Release date:2024-12-04
Identifier:(5~{E})-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
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
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
Y86
Y86
Name:[(2~{R})-1-[(9~{Z},12~{Z},15~{E})-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxy-propan-2-yl] nonadecanoate
Formula:C40 H73 O8 P
SMILES:O=C(OC(COP(O)(O)=O)COC(=O)CCCCCCC/C=CC/C=CCC=CCC)CCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C40H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,38H,3-5,7,9-11,13,15-17,19,21-37H2,1-2H3,(H2,43,44,45)/b8-6+,14-12-,20-18-/t38-/m1/s1
Definition date:2023-11-27
Last modified:2024-11-28
Release date:2024-11-27
Identifier:(2R)-1-{[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxy}-3-(phosphonooxy)propan-2-yl nonadecanoate
A1HZ9
A1HZ9
Name:[(4~{R},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron
Formula:C7 H18 B N2 O5
SMILES:NC[CH](CCC[B](O)(O)O)[CH](N)C(O)=O
InChi:InChI=1S/C7H18BN2O5/c9-4-5(6(10)7(11)12)2-1-3-8(13,14)15/h5-6,13-15H,1-4,9-10H2,(H,11,12)/t5-,6+/m1/s1
Definition date:2023-12-14
Last modified:2024-11-27
Release date:2024-11-27
Identifier:[(4~{R},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron
A1LZV
A1LZV
Name:Cdp-DG(16:0/16:0)
Formula:C44 H81 N3 O15 P2
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N)OC(=O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1
Synonyms:1,2-dihexadecanoyl-sn-glycero-3-cytidine-5'-diphosphate
Definition date:2024-03-29
Last modified:2024-11-27
Release date:2024-11-20
Identifier:[(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate
MLA
MLA
Name:MALONIC ACID
Formula:C3 H4 O4
SMILES:O=C(O)CC(=O)O
InChi:InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Synonyms:DICARBOXYLIC ACID C3
Definition date:2001-08-17
Last modified:2024-11-26
Identifier:propanedioic acid
P7I
P7I
Name:(2-aminoethyl)phosphonic acid
Formula:C2 H8 N O3 P
SMILES:O=P(O)(O)CCN
InChi:InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
Definition date:2010-10-20
Last modified:2024-11-26
Identifier:(2-aminoethyl)phosphonic acid
ZRY
ZRY
Name:(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
Formula:C14 H12 N4
SMILES:NC1=N/C(=NNc2ccccc2)c2ccccc12
InChi:InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18)
Definition date:2021-05-28
Last modified:2024-11-25
Release date:2021-09-01
Identifier:(1Z)-1-(2-phenylhydrazinylidene)-1H-isoindol-3-amine

243083

数据于2025-10-15公开中

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