2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one

C61H72FN29O30P6S6 — CID 159651303

About 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one

2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 159651303) has the molecular formula C61H72FN29O30P6S6 and a molecular weight of 2088.66 g/mol. Its IUPAC name is 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
• PubChem CID: 159651303
• Molecular Formula: C61H72FN29O30P6S6
• Molecular Weight: 2088.66 g/mol
• Exact Mass: 2087.17
• IUPAC Name: 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
• SMILES: Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5cnc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2S[C@@H]3COP(=O)(O)O[C@H]4C[C@H](c5cnn6c(N)ccnc56)O[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2S[C@@H]3COP(=O)(O)O[C@H]4C[C@H](c5cnn6c(N)ccnc56)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1
• InChI: InChI=1S/C21H24FN9O10P2S2.2C20H24N10O10P2S2/c22-10-14-8(39-19(10)30-5-26-11-7(23)1-2-25-16(11)30)3-38-43(36,44)41-15-13(32)9(4-37-42(34,35)40-14)45-20(15)31-6-27-12-17(31)28-21(24)29-18(12)33;2*21-12-1-2-23-16-7(4-24-29(12)16)8-3-9-10(38-8)5-37-42(35,43)40-15-14(31)11(6-36-41(33,34)39-9)44-19(15)30-17-13(27-28-30)18(32)26-20(22)25-17/h1-2,5-6,8-10,13-15,19-20,32H,3-4H2,(H2,23,25)(H,34,35)(H,36,44)(H3,24,28,29,33);2*1-2,4,8-11,14-15,19,31H,3,5-6,21H2,(H,33,34)(H,35,43)(H3,22,25,26,32)/t8-,9-,10+,13-,14-,15-,19-,20-,43?;2*8-,9+,10-,11-,14-,15-,19-,42?/m111/s1
• InChIKey: MRPILBJARCPVAF-OMNXMQFRSA-N
• XLogP: -0.38
• TPSA: 832.27 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 56
• Rotatable Bonds: 6
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.66
LogP ≤ 5	-0.38
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

The IUPAC name of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one (CID 159651303) is 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one.

What is the SMILES notation for 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

The canonical SMILES for 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one is Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5cnc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2S[C@@H]3COP(=O)(O)O[C@H]4C[C@H](c5cnn6c(N)ccnc56)O[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2S[C@@H]3COP(=O)(O)O[C@H]4C[C@H](c5cnn6c(N)ccnc56)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.

What is the InChIKey of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

The InChIKey is MRPILBJARCPVAF-OMNXMQFRSA-N. The full InChI is InChI=1S/C21H24FN9O10P2S2.2C20H24N10O10P2S2/c22-10-14-8(39-19(10)30-5-26-11-7(23)1-2-25-16(11)30)3-38-43(36,44)41-15-13(32)9(4-37-42(34,35)40-14)45-20(15)31-6-27-12-17(31)28-21(24)29-18(12)33;2*21-12-1-2-23-16-7(4-24-29(12)16)8-3-9-10(38-8)5-37-42(35,43)40-15-14(31)11(6-36-41(33,34)39-9)44-19(15)30-17-13(27-28-30)18(32)26-20(22)25-17/h1-2,5-6,8-10,13-15,19-20,32H,3-4H2,(H2,23,25)(H,34,35)(H,36,44)(H3,24,28,29,33);2*1-2,4,8-11,14-15,19,31H,3,5-6,21H2,(H,33,34)(H,35,43)(H3,22,25,26,32)/t8-,9-,10+,13-,14-,15-,19-,20-,43?;2*8-,9+,10-,11-,14-,15-,19-,42?/m111/s1.

What are the key properties of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 2088.66 g/mol, XLogP of -0.38, 6 rotatable bonds, 18 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-fluoro-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-12,18-dihydroxy-3,12-dioxo-3-sulfanyl-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 159651303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).