1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane

C140H162Cl4F2N28O8S2 — CID 167622168

About 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane

1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane (PubChem CID 167622168) has the molecular formula C140H162Cl4F2N28O8S2 and a molecular weight of 2608.97 g/mol. Its IUPAC name is 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane.

Molecular Properties

• Compound Name: 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane
• PubChem CID: 167622168
• Molecular Formula: C140H162Cl4F2N28O8S2
• Molecular Weight: 2608.97 g/mol
• Exact Mass: 2605.13
• IUPAC Name: 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane
• SMILES: S.S.[C-]#[N+]CC1CN(c2nc(O[C@@H]3CC4(CC4)C[C@H]3N(C)C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]CC1CN(c2nc(O[C@@H]3CC4(CC4)C[C@H]3N(C)C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H]3CC4(CC4)C[C@H]3N(C)C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H]3CC4(CC4)C[C@H]3N(C)C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C
• InChI: InChI=1S/2C35H39ClFN7O2.2C35H40ClN7O2.2H2S/c2*1-5-30(45)44-16-15-43(20-23(44)19-38-2)33-24-11-14-42(27-8-6-7-22-9-10-25(37)32(36)31(22)27)21-26(24)39-34(40-33)46-29-18-35(12-13-35)17-28(29)41(3)4;2*1-5-31(44)43-17-16-42(21-24(43)20-37-2)33-25-12-15-41(28-11-7-9-23-8-6-10-26(36)32(23)28)22-27(25)38-34(39-33)45-30-19-35(13-14-35)18-29(30)40(3)4;;/h2*5-10,23,28-29H,1,11-21H2,3-4H3;2*5-11,24,29-30H,1,12-22H2,3-4H3;2*1H2/t23?,28-,29-;23-,28+,29+;24?,29-,30-;24-,29+,30+;;/m1010../s1
• InChIKey: MPCIXYOQMWJISX-FKQSLTRWSA-N
• XLogP: 21.38
• TPSA: 277.60 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2608.97
LogP ≤ 5	21.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

The IUPAC name of 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane (CID 167622168) is 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane.

What is the SMILES notation for 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

The canonical SMILES for 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane is S.S.[C-]#[N+]CC1CN(c2nc(O[C@@H]3CC4(CC4)C[C@H]3N(C)C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]CC1CN(c2nc(O[C@@H]3CC4(CC4)C[C@H]3N(C)C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H]3CC4(CC4)C[C@H]3N(C)C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H]3CC4(CC4)C[C@H]3N(C)C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.

What is the InChIKey of 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

The InChIKey is MPCIXYOQMWJISX-FKQSLTRWSA-N. The full InChI is InChI=1S/2C35H39ClFN7O2.2C35H40ClN7O2.2H2S/c2*1-5-30(45)44-16-15-43(20-23(44)19-38-2)33-24-11-14-42(27-8-6-7-22-9-10-25(37)32(36)31(22)27)21-26(24)39-34(40-33)46-29-18-35(12-13-35)17-28(29)41(3)4;2*1-5-31(44)43-17-16-42(21-24(43)20-37-2)33-25-12-15-41(28-11-7-9-23-8-6-10-26(36)32(23)28)22-27(25)38-34(39-33)45-30-19-35(13-14-35)18-29(30)40(3)4;;/h2*5-10,23,28-29H,1,11-21H2,3-4H3;2*5-11,24,29-30H,1,12-22H2,3-4H3;2*1H2/t23?,28-,29-;23-,28+,29+;24?,29-,30-;24-,29+,30+;;/m1010../s1.

What are the key properties of 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane has a molecular weight of 2608.97 g/mol, XLogP of 21.38, 28 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(8-chloronaphthalen-1-yl)-2-[(5R,6R)-5-(dimethylamino)spiro[2.4]heptan-6-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane is sourced from PubChem (CID 167622168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).