2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone

C129H148Cl3F6N21O10Si2 — CID 167666423

About 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone

2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone (PubChem CID 167666423) has the molecular formula C129H148Cl3F6N21O10Si2 and a molecular weight of 2429.26 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone
• PubChem CID: 167666423
• Molecular Formula: C129H148Cl3F6N21O10Si2
• Molecular Weight: 2429.26 g/mol
• Exact Mass: 2426.02
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone
• SMILES: CC(C)(C)[Si](C)(C)OCC=O.Cc1cc(C(=O)Cc2cccc(-c3cccc(Nc4nc(C(F)F)nc5cc(CN6CC[C@@H](O)C6)cnc45)c3C)c2Cl)nc2c1CCN(CCO)C2.Cc1cc(C(=O)Cc2cccc(-c3cccc(Nc4nc(C(F)F)nc5cc(CN6CC[C@@H](O)C6)cnc45)c3C)c2Cl)nc2c1CCN(CCO[Si](C)(C)C(C)(C)C)C2.Cc1cc(C(=O)Cc2cccc(-c3cccc(Nc4nc(C(F)F)nc5cc(CN6CC[C@@H](O)C6)cnc45)c3C)c2Cl)nc2c1CCNC2
• InChI: InChI=1S/C45H54ClF2N7O3Si.C39H40ClF2N7O3.C37H36ClF2N7O2.C8H18O2Si/c1-27-20-36(50-38-26-54(17-15-32(27)38)18-19-58-59(6,7)45(3,4)5)39(57)22-30-10-8-12-34(40(30)46)33-11-9-13-35(28(33)2)51-43-41-37(52-44(53-43)42(47)48)21-29(23-49-41)24-55-16-14-31(56)25-55;1-22-15-31(44-33-21-48(13-14-50)12-10-27(22)33)34(52)17-25-5-3-7-29(35(25)40)28-6-4-8-30(23(28)2)45-38-36-32(46-39(47-38)37(41)42)16-24(18-43-36)19-49-11-9-26(51)20-49;1-20-13-29(43-31-17-41-11-9-25(20)31)32(49)15-23-5-3-7-27(33(23)38)26-6-4-8-28(21(26)2)44-36-34-30(45-37(46-36)35(39)40)14-22(16-42-34)18-47-12-10-24(48)19-47;1-8(2,3)11(4,5)10-7-6-9/h8-13,20-21,23,31,42,56H,14-19,22,24-26H2,1-7H3,(H,51,52,53);3-8,15-16,18,26,37,50-51H,9-14,17,19-21H2,1-2H3,(H,45,46,47);3-8,13-14,16,24,35,41,48H,9-12,15,17-19H2,1-2H3,(H,44,45,46);6H,7H2,1-5H3/t31-;26-;24-;/m111./s1
• InChIKey: SSDMXHNBQWRAJE-GBTCCCDVSA-N
• XLogP: 24.67
• TPSA: 386.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.26
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone?

The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone (CID 167666423) is 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone.

What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone?

The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone is CC(C)(C)[Si](C)(C)OCC=O.Cc1cc(C(=O)Cc2cccc(-c3cccc(Nc4nc(C(F)F)nc5cc(CN6CC[C@@H](O)C6)cnc45)c3C)c2Cl)nc2c1CCN(CCO)C2.Cc1cc(C(=O)Cc2cccc(-c3cccc(Nc4nc(C(F)F)nc5cc(CN6CC[C@@H](O)C6)cnc45)c3C)c2Cl)nc2c1CCN(CCO[Si](C)(C)C(C)(C)C)C2.Cc1cc(C(=O)Cc2cccc(-c3cccc(Nc4nc(C(F)F)nc5cc(CN6CC[C@@H](O)C6)cnc45)c3C)c2Cl)nc2c1CCNC2.

What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone?

The InChIKey is SSDMXHNBQWRAJE-GBTCCCDVSA-N. The full InChI is InChI=1S/C45H54ClF2N7O3Si.C39H40ClF2N7O3.C37H36ClF2N7O2.C8H18O2Si/c1-27-20-36(50-38-26-54(17-15-32(27)38)18-19-58-59(6,7)45(3,4)5)39(57)22-30-10-8-12-34(40(30)46)33-11-9-13-35(28(33)2)51-43-41-37(52-44(53-43)42(47)48)21-29(23-49-41)24-55-16-14-31(56)25-55;1-22-15-31(44-33-21-48(13-14-50)12-10-27(22)33)34(52)17-25-5-3-7-29(35(25)40)28-6-4-8-30(23(28)2)45-38-36-32(46-39(47-38)37(41)42)16-24(18-43-36)19-49-11-9-26(51)20-49;1-20-13-29(43-31-17-41-11-9-25(20)31)32(49)15-23-5-3-7-27(33(23)38)26-6-4-8-28(21(26)2)44-36-34-30(45-37(46-36)35(39)40)14-22(16-42-34)18-47-12-10-24(48)19-47;1-8(2,3)11(4,5)10-7-6-9/h8-13,20-21,23,31,42,56H,14-19,22,24-26H2,1-7H3,(H,51,52,53);3-8,15-16,18,26,37,50-51H,9-14,17,19-21H2,1-2H3,(H,45,46,47);3-8,13-14,16,24,35,41,48H,9-12,15,17-19H2,1-2H3,(H,44,45,46);6H,7H2,1-5H3/t31-;26-;24-;/m111./s1.

What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone?

2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone has a molecular weight of 2429.26 g/mol, XLogP of 24.67, 36 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-[7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone;2-[2-chloro-3-[3-[[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]-1-(4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)ethanone is sourced from PubChem (CID 167666423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).