5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate

C174H251BBr2ClIN22O24Si10 — CID 157113314

About 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate

5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate (PubChem CID 157113314) has the molecular formula C174H251BBr2ClIN22O24Si10 and a molecular weight of 3648.89 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate.

Molecular Properties

• Compound Name: 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate
• PubChem CID: 157113314
• Molecular Formula: C174H251BBr2ClIN22O24Si10
• Molecular Weight: 3648.89 g/mol
• Exact Mass: 3643.40
• IUPAC Name: 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate
• SMILES: COC(=O)Cc1ccc(CB2OC(C)(C)C(C)(C)O2)cc1.COC(=O)Cc1ccc(CBr)cc1.COC(=O)Cc1ccc(Cc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnc5ccccc5c4)c3n2)cc1.COC(=O)Cc1ccc(Cc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)cc1.COC(=O)Cc1ccc(Cc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)cc1.COC(=O)Cc1ccc(Cc2nc3c(-c4cnc5ccccc5c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)cc1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2ccnn12
• InChI: InChI=1S/C37H48BrN5O4Si2.C37H49N5O4Si2.C28H43IN4O4Si2.C28H44N4O4Si2.C18H33ClN4O2Si2.C16H23BO4.C10H11BrO2/c1-45-34(44)21-28-14-12-27(13-15-28)20-33-35(38)37(42(25-46-16-18-48(2,3)4)26-47-17-19-49(5,6)7)43-36(41-33)31(24-40-43)30-22-29-10-8-9-11-32(29)39-23-30;1-44-36(43)21-29-14-12-28(13-15-29)20-32-23-35(41(26-45-16-18-47(2,3)4)27-46-17-19-48(5,6)7)42-37(40-32)33(25-39-42)31-22-30-10-8-9-11-34(30)38-24-31;1-35-27(34)17-23-10-8-22(9-11-23)16-24-18-26(33-28(31-24)25(29)19-30-33)32(20-36-12-14-38(2,3)4)21-37-13-15-39(5,6)7;1-34-28(33)19-24-10-8-23(9-11-24)18-25-20-27(32-26(30-25)12-13-29-32)31(21-35-14-16-37(2,3)4)22-36-15-17-38(5,6)7;1-26(2,3)11-9-24-14-22(15-25-10-12-27(4,5)6)18-13-16(19)21-17-7-8-20-23(17)18;1-15(2)16(3,4)21-17(20-15)11-13-8-6-12(7-9-13)10-14(18)19-5;1-13-10(12)6-8-2-4-9(7-11)5-3-8/h8-15,22-24H,16-21,25-26H2,1-7H3;8-15,22-25H,16-21,26-27H2,1-7H3;8-11,18-19H,12-17,20-21H2,1-7H3;8-13,20H,14-19,21-22H2,1-7H3;7-8,13H,9-12,14-15H2,1-6H3;6-9H,10-11H2,1-5H3;2-5H,6-7H2,1H3
• InChIKey: AHCGNNJASVMUSV-UHFFFAOYSA-N
• XLogP: 37.35
• TPSA: 461.49 Ų
• H-Bond Acceptors: 46
• Rotatable Bonds: 80
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3648.89
LogP ≤ 5	37.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate?

The IUPAC name of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate (CID 157113314) is 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate.

What is the SMILES notation for 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate?

The canonical SMILES for 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate is COC(=O)Cc1ccc(CB2OC(C)(C)C(C)(C)O2)cc1.COC(=O)Cc1ccc(CBr)cc1.COC(=O)Cc1ccc(Cc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnc5ccccc5c4)c3n2)cc1.COC(=O)Cc1ccc(Cc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)cc1.COC(=O)Cc1ccc(Cc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)cc1.COC(=O)Cc1ccc(Cc2nc3c(-c4cnc5ccccc5c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)cc1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2ccnn12.

What is the InChIKey of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate?

The InChIKey is AHCGNNJASVMUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48BrN5O4Si2.C37H49N5O4Si2.C28H43IN4O4Si2.C28H44N4O4Si2.C18H33ClN4O2Si2.C16H23BO4.C10H11BrO2/c1-45-34(44)21-28-14-12-27(13-15-28)20-33-35(38)37(42(25-46-16-18-48(2,3)4)26-47-17-19-49(5,6)7)43-36(41-33)31(24-40-43)30-22-29-10-8-9-11-32(29)39-23-30;1-44-36(43)21-29-14-12-28(13-15-29)20-32-23-35(41(26-45-16-18-47(2,3)4)27-46-17-19-48(5,6)7)42-37(40-32)33(25-39-42)31-22-30-10-8-9-11-34(30)38-24-31;1-35-27(34)17-23-10-8-22(9-11-23)16-24-18-26(33-28(31-24)25(29)19-30-33)32(20-36-12-14-38(2,3)4)21-37-13-15-39(5,6)7;1-34-28(33)19-24-10-8-23(9-11-24)18-25-20-27(32-26(30-25)12-13-29-32)31(21-35-14-16-37(2,3)4)22-36-15-17-38(5,6)7;1-26(2,3)11-9-24-14-22(15-25-10-12-27(4,5)6)18-13-16(19)21-17-7-8-20-23(17)18;1-15(2)16(3,4)21-17(20-15)11-13-8-6-12(7-9-13)10-14(18)19-5;1-13-10(12)6-8-2-4-9(7-11)5-3-8/h8-15,22-24H,16-21,25-26H2,1-7H3;8-15,22-25H,16-21,26-27H2,1-7H3;8-11,18-19H,12-17,20-21H2,1-7H3;8-13,20H,14-19,21-22H2,1-7H3;7-8,13H,9-12,14-15H2,1-6H3;6-9H,10-11H2,1-5H3;2-5H,6-7H2,1H3.

What are the key properties of 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate?

5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate has a molecular weight of 3648.89 g/mol, XLogP of 37.35, 80 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-[[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetate;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetate is sourced from PubChem (CID 157113314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).