ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate

C175H175N5O24 — CID 162060132

IUPACethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate
SMILESC=C(COC(=O)CCc1ccc(N(c2ccc(C)c(C)c2)c2ccc(-c3ccc(N(c4ccc(CCC(=O)OCC(=C)C(=O)OCC)c(C)c4)c4ccc(CCC(=O)OCC(=C)C(=O)OCC)c(C)c4)c(C)c3)cc2C)cc1C)C(=O)OCC.C=COC(=O)CCc1ccc(N(c2ccc(CCC(=O)OC=C)cc2)c2ccc(CCC(=O)OC=C)cc2)cc1.C=Cc1ccc(COC(=O)CCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(CCC(=O)OCc6ccc(C=C)cc6)cc5)c5ccc(CCC(=O)OCc6ccc(C=C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H64N2O6.C70H78N2O12.C33H33NO6/c1-4-53-12-18-59(19-13-53)50-78-70(75)47-30-56-24-37-65(38-25-56)73(64-10-8-7-9-11-64)68-43-33-62(34-44-68)63-35-45-69(46-36-63)74(66-39-26-57(27-40-66)31-48-71(76)79-51-60-20-14-54(5-2)15-21-60)67-41-28-58(29-42-67)32-49-72(77)80-52-61-22-16-55(6-3)17-23-61;1-14-79-68(76)51(11)41-82-65(73)32-23-54-18-27-60(38-46(54)6)71(59-26-17-44(4)45(5)37-59)63-30-21-57(35-49(63)9)58-22-31-64(50(10)36-58)72(61-28-19-55(47(7)39-61)24-33-66(74)83-42-52(12)69(77)80-15-2)62-29-20-56(48(8)40-62)25-34-67(75)84-43-53(13)70(78)81-16-3;1-4-38-31(35)22-13-25-7-16-28(17-8-25)34(29-18-9-26(10-19-29)14-23-32(36)39-5-2)30-20-11-27(12-21-30)15-24-33(37)40-6-3/h4-29,33-46H,1-3,30-32,47-52H2;17-22,26-31,35-40H,11-16,23-25,32-34,41-43H2,1-10H3;4-12,16-21H,1-3,13-15,22-24H2
InChIKeyYZSJMNZOBLYCAE-UHFFFAOYSA-N
MW2732.34 g/mol
LogP38.50
Rot. Bonds68

About ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate

ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate (PubChem CID 162060132) has the molecular formula C175H175N5O24 and a molecular weight of 2732.34 g/mol. Its IUPAC name is ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate.

Molecular Properties

Compound Nameethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate
PubChem CID162060132
Molecular FormulaC175H175N5O24
Molecular Weight2732.34 g/mol
Exact Mass2730.26
IUPAC Nameethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate
SMILESC=C(COC(=O)CCc1ccc(N(c2ccc(C)c(C)c2)c2ccc(-c3ccc(N(c4ccc(CCC(=O)OCC(=C)C(=O)OCC)c(C)c4)c4ccc(CCC(=O)OCC(=C)C(=O)OCC)c(C)c4)c(C)c3)cc2C)cc1C)C(=O)OCC.C=COC(=O)CCc1ccc(N(c2ccc(CCC(=O)OC=C)cc2)c2ccc(CCC(=O)OC=C)cc2)cc1.C=Cc1ccc(COC(=O)CCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(CCC(=O)OCc6ccc(C=C)cc6)cc5)c5ccc(CCC(=O)OCc6ccc(C=C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H64N2O6.C70H78N2O12.C33H33NO6/c1-4-53-12-18-59(19-13-53)50-78-70(75)47-30-56-24-37-65(38-25-56)73(64-10-8-7-9-11-64)68-43-33-62(34-44-68)63-35-45-69(46-36-63)74(66-39-26-57(27-40-66)31-48-71(76)79-51-60-20-14-54(5-2)15-21-60)67-41-28-58(29-42-67)32-49-72(77)80-52-61-22-16-55(6-3)17-23-61;1-14-79-68(76)51(11)41-82-65(73)32-23-54-18-27-60(38-46(54)6)71(59-26-17-44(4)45(5)37-59)63-30-21-57(35-49(63)9)58-22-31-64(50(10)36-58)72(61-28-19-55(47(7)39-61)24-33-66(74)83-42-52(12)69(77)80-15-2)62-29-20-56(48(8)40-62)25-34-67(75)84-43-53(13)70(78)81-16-3;1-4-38-31(35)22-13-25-7-16-28(17-8-25)34(29-18-9-26(10-19-29)14-23-32(36)39-5-2)30-20-11-27(12-21-30)15-24-33(37)40-6-3/h4-29,33-46H,1-3,30-32,47-52H2;17-22,26-31,35-40H,11-16,23-25,32-34,41-43H2,1-10H3;4-12,16-21H,1-3,13-15,22-24H2
InChIKeyYZSJMNZOBLYCAE-UHFFFAOYSA-N
XLogP38.50
TPSA331.80 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds68
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002732.34
LogP ≤ 538.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate?
The IUPAC name of ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate (CID 162060132) is ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate.
What is the SMILES notation for ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate?
The canonical SMILES for ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate is C=C(COC(=O)CCc1ccc(N(c2ccc(C)c(C)c2)c2ccc(-c3ccc(N(c4ccc(CCC(=O)OCC(=C)C(=O)OCC)c(C)c4)c4ccc(CCC(=O)OCC(=C)C(=O)OCC)c(C)c4)c(C)c3)cc2C)cc1C)C(=O)OCC.C=COC(=O)CCc1ccc(N(c2ccc(CCC(=O)OC=C)cc2)c2ccc(CCC(=O)OC=C)cc2)cc1.C=Cc1ccc(COC(=O)CCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(CCC(=O)OCc6ccc(C=C)cc6)cc5)c5ccc(CCC(=O)OCc6ccc(C=C)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate?
The InChIKey is YZSJMNZOBLYCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N2O6.C70H78N2O12.C33H33NO6/c1-4-53-12-18-59(19-13-53)50-78-70(75)47-30-56-24-37-65(38-25-56)73(64-10-8-7-9-11-64)68-43-33-62(34-44-68)63-35-45-69(46-36-63)74(66-39-26-57(27-40-66)31-48-71(76)79-51-60-20-14-54(5-2)15-21-60)67-41-28-58(29-42-67)32-49-72(77)80-52-61-22-16-55(6-3)17-23-61;1-14-79-68(76)51(11)41-82-65(73)32-23-54-18-27-60(38-46(54)6)71(59-26-17-44(4)45(5)37-59)63-30-21-57(35-49(63)9)58-22-31-64(50(10)36-58)72(61-28-19-55(47(7)39-61)24-33-66(74)83-42-52(12)69(77)80-15-2)62-29-20-56(48(8)40-62)25-34-67(75)84-43-53(13)70(78)81-16-3;1-4-38-31(35)22-13-25-7-16-28(17-8-25)34(29-18-9-26(10-19-29)14-23-32(36)39-5-2)30-20-11-27(12-21-30)15-24-33(37)40-6-3/h4-29,33-46H,1-3,30-32,47-52H2;17-22,26-31,35-40H,11-16,23-25,32-34,41-43H2,1-10H3;4-12,16-21H,1-3,13-15,22-24H2.
What are the key properties of ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate?
ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate has a molecular weight of 2732.34 g/mol, XLogP of 38.50, 68 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-[4-[4-(3-ethenoxy-3-oxopropyl)-N-[4-(3-ethenoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]-N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino]phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[3-[4-(N-[4-[4-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-N-[4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]-3-methylphenyl]-3-methylanilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)-2-methylphenyl]propanoyloxymethyl]prop-2-enoate is sourced from PubChem (CID 162060132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).