4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine

C127H143F6N55O6S3 — CID 158224468

About 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine

4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine (PubChem CID 158224468) has the molecular formula C127H143F6N55O6S3 and a molecular weight of 2746.11 g/mol. Its IUPAC name is 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
• PubChem CID: 158224468
• Molecular Formula: C127H143F6N55O6S3
• Molecular Weight: 2746.11 g/mol
• Exact Mass: 2744.16
• IUPAC Name: 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
• SMILES: FC(F)(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1.Fc1ccc(OCc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.Fc1ccc(Sc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.Fc1cccc(Sc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)c1.Fc1ccccc1Sc1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1
• InChI: InChI=1S/C26H29F2N11O.C26H30FN11O2.3C25H28FN11OS/c27-26(28,19-4-2-1-3-5-19)20-12-30-24(31-13-20)37-7-9-38(10-8-37)25-33-18-32-23(36-25)35-21-14-34-39(16-21)17-22-15-29-6-11-40-22;27-20-1-3-22(4-2-20)40-17-19-11-29-25(30-12-19)36-6-8-37(9-7-36)26-32-18-31-24(35-26)34-21-13-33-38(15-21)16-23-14-28-5-10-39-23;26-18-1-3-21(4-2-18)39-22-13-28-24(29-14-22)35-6-8-36(9-7-35)25-31-17-30-23(34-25)33-19-11-32-37(15-19)16-20-12-27-5-10-38-20;26-18-2-1-3-21(10-18)39-22-13-28-24(29-14-22)35-5-7-36(8-6-35)25-31-17-30-23(34-25)33-19-11-32-37(15-19)16-20-12-27-4-9-38-20;26-21-3-1-2-4-22(21)39-20-13-28-24(29-14-20)35-6-8-36(9-7-35)25-31-17-30-23(34-25)33-18-11-32-37(15-18)16-19-12-27-5-10-38-19/h1-5,12-14,16,18,22,29H,6-11,15,17H2,(H,32,33,35,36);1-4,11-13,15,18,23,28H,5-10,14,16-17H2,(H,31,32,34,35);1-4,11,13-15,17,20,27H,5-10,12,16H2,(H,30,31,33,34);1-3,10-11,13-15,17,20,27H,4-9,12,16H2,(H,30,31,33,34);1-4,11,13-15,17,19,27H,5-10,12,16H2,(H,30,31,33,34)/t22-;23-;2*20-;19-/m00000/s1
• InChIKey: GDQBKWBIRZGSAK-GDYRHEEUSA-N
• XLogP: 10.31
• TPSA: 619.43 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 64
• Rotatable Bonds: 41
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2746.11
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine (CID 158224468) is 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine is FC(F)(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1.Fc1ccc(OCc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.Fc1ccc(Sc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.Fc1cccc(Sc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)c1.Fc1ccccc1Sc1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1.

What is the InChIKey of 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine?

The InChIKey is GDQBKWBIRZGSAK-GDYRHEEUSA-N. The full InChI is InChI=1S/C26H29F2N11O.C26H30FN11O2.3C25H28FN11OS/c27-26(28,19-4-2-1-3-5-19)20-12-30-24(31-13-20)37-7-9-38(10-8-37)25-33-18-32-23(36-25)35-21-14-34-39(16-21)17-22-15-29-6-11-40-22;27-20-1-3-22(4-2-20)40-17-19-11-29-25(30-12-19)36-6-8-37(9-7-36)26-32-18-31-24(35-26)34-21-13-33-38(15-21)16-23-14-28-5-10-39-23;26-18-1-3-21(4-2-18)39-22-13-28-24(29-14-22)35-6-8-36(9-7-35)25-31-17-30-23(34-25)33-19-11-32-37(15-19)16-20-12-27-5-10-38-20;26-18-2-1-3-21(10-18)39-22-13-28-24(29-14-22)35-5-7-36(8-6-35)25-31-17-30-23(34-25)33-19-11-32-37(15-19)16-20-12-27-4-9-38-20;26-21-3-1-2-4-22(21)39-20-13-28-24(29-14-20)35-6-8-36(9-7-35)25-31-17-30-23(34-25)33-18-11-32-37(15-18)16-19-12-27-5-10-38-19/h1-5,12-14,16,18,22,29H,6-11,15,17H2,(H,32,33,35,36);1-4,11-13,15,18,23,28H,5-10,14,16-17H2,(H,31,32,34,35);1-4,11,13-15,17,20,27H,5-10,12,16H2,(H,30,31,33,34);1-3,10-11,13-15,17,20,27H,4-9,12,16H2,(H,30,31,33,34);1-4,11,13-15,17,19,27H,5-10,12,16H2,(H,30,31,33,34)/t22-;23-;2*20-;19-/m00000/s1.

What are the key properties of 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine?

4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine has a molecular weight of 2746.11 g/mol, XLogP of 10.31, 41 rotatable bonds, 10 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 158224468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).