2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane

C126H161F3N30O9S5 — CID 161088940

About 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane

2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane (PubChem CID 161088940) has the molecular formula C126H161F3N30O9S5 and a molecular weight of 2457.20 g/mol. Its IUPAC name is 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane.

Molecular Properties

• Compound Name: 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane
• PubChem CID: 161088940
• Molecular Formula: C126H161F3N30O9S5
• Molecular Weight: 2457.20 g/mol
• Exact Mass: 2455.16
• IUPAC Name: 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane
• SMILES: C=CC(=O)N1CCN(c2nc(OCCCN3C[C@H]4CC[C@@H]3C4)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1CC#N.C=CC(=O)N1CCN(c2nc(OCCCN3C[C@H]4CC[C@@H]3C4)nc3c2CCN(c2cccc4ccccc24)C3)CC1CC#N.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C(F)(F)F)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)CC1.S.S.S.S.S
• InChI: InChI=1S/C35H41N7O3.C35H41N7O2.C28H33F3N8O2.C28H36N8O2.5H2S/c1-2-33(44)42-16-15-41(22-27(42)10-12-36)34-30-11-14-40(32-20-28(43)19-25-6-3-4-7-29(25)32)23-31(30)37-35(38-34)45-17-5-13-39-21-24-8-9-26(39)18-24;1-2-33(43)42-19-18-41(23-28(42)13-15-36)34-30-14-17-40(32-10-5-8-26-7-3-4-9-29(26)32)24-31(30)37-35(38-34)44-20-6-16-39-22-25-11-12-27(39)21-25;1-3-24(40)37-11-13-38(14-12-37)26-19-8-10-39(25-20-15-32-35-22(20)7-6-21(25)28(29,30)31)16-23(19)33-27(34-26)41-17-18-5-4-9-36(18)2;1-4-25(37)34-12-14-35(15-13-34)27-21-9-11-36(26-19(2)7-8-23-22(26)16-29-32-23)17-24(21)30-28(31-27)38-18-20-6-5-10-33(20)3;;;;;/h2-4,6-7,19-20,24,26-27,43H,1,5,8-11,13-18,21-23H2;2-5,7-10,25,27-28H,1,6,11-14,16-24H2;3,6-7,15,18H,1,4-5,8-14,16-17H2,2H3,(H,32,35);4,7-8,16,20H,1,5-6,9-15,17-18H2,2-3H3,(H,29,32);5*1H2/t24-,26+,27?;25-,27+,28?;18-;20-;;;;;/m0000...../s1
• InChIKey: UGXHGNOZXLNODO-PUCIHPKFSA-N
• XLogP: 15.17
• TPSA: 385.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2457.20
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane?

The IUPAC name of 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane (CID 161088940) is 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane.

What is the SMILES notation for 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane?

The canonical SMILES for 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane is C=CC(=O)N1CCN(c2nc(OCCCN3C[C@H]4CC[C@@H]3C4)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1CC#N.C=CC(=O)N1CCN(c2nc(OCCCN3C[C@H]4CC[C@@H]3C4)nc3c2CCN(c2cccc4ccccc24)C3)CC1CC#N.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C(F)(F)F)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)CC1.S.S.S.S.S.

What is the InChIKey of 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane?

The InChIKey is UGXHGNOZXLNODO-PUCIHPKFSA-N. The full InChI is InChI=1S/C35H41N7O3.C35H41N7O2.C28H33F3N8O2.C28H36N8O2.5H2S/c1-2-33(44)42-16-15-41(22-27(42)10-12-36)34-30-11-14-40(32-20-28(43)19-25-6-3-4-7-29(25)32)23-31(30)37-35(38-34)45-17-5-13-39-21-24-8-9-26(39)18-24;1-2-33(43)42-19-18-41(23-28(42)13-15-36)34-30-14-17-40(32-10-5-8-26-7-3-4-9-29(26)32)24-31(30)37-35(38-34)44-20-6-16-39-22-25-11-12-27(39)21-25;1-3-24(40)37-11-13-38(14-12-37)26-19-8-10-39(25-20-15-32-35-22(20)7-6-21(25)28(29,30)31)16-23(19)33-27(34-26)41-17-18-5-4-9-36(18)2;1-4-25(37)34-12-14-35(15-13-34)27-21-9-11-36(26-19(2)7-8-23-22(26)16-29-32-23)17-24(21)30-28(31-27)38-18-20-6-5-10-33(20)3;;;;;/h2-4,6-7,19-20,24,26-27,43H,1,5,8-11,13-18,21-23H2;2-5,7-10,25,27-28H,1,6,11-14,16-24H2;3,6-7,15,18H,1,4-5,8-14,16-17H2,2H3,(H,32,35);4,7-8,16,20H,1,5-6,9-15,17-18H2,2-3H3,(H,29,32);5*1H2/t24-,26+,27?;25-,27+,28?;18-;20-;;;;;/m0000...../s1.

What are the key properties of 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane?

2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane has a molecular weight of 2457.20 g/mol, XLogP of 15.17, 30 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]propoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane is sourced from PubChem (CID 161088940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).