benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride

C121H155ClF9N26O30PdS8- — CID 167536175

About benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride

benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride (PubChem CID 167536175) has the molecular formula C121H155ClF9N26O30PdS8- and a molecular weight of 3023.11 g/mol. Its IUPAC name is benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride.

Molecular Properties

• Compound Name: benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride
• PubChem CID: 167536175
• Molecular Formula: C121H155ClF9N26O30PdS8-
• Molecular Weight: 3023.11 g/mol
• Exact Mass: 3019.78
• IUPAC Name: benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride
• SMILES: CCOC(=O)C1COCCC1=O.CN1CCC[C@H]1CO.CSc1nc2c(c(=O)[nH]1)COCC2.CSc1nc2c(c(OS(=O)(=O)C(F)(F)F)n1)COCC2.Cl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2COCC3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(S(C)(=O)=O)nc3c2COCC3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(SC)nc3c2COCC3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CNCCN1C(=O)OCc1ccccc1.[CH3-].[H]/N=C(/N)SC.[Pd]
• InChI: InChI=1S/C27H34N6O4.C22H25N5O5S.C22H25N5O3S.C14H17N3O2.C9H9F3N2O4S2.C8H10N2O2S.C8H12O4.C6H13NO.C2F6O5S2.C2H6N2S.CH3.ClH.Pd/c1-28-15-22-16-32(12-13-33(22)27(34)37-17-20-7-4-3-5-8-20)25-23-19-35-14-10-24(23)29-26(30-25)36-18-21-9-6-11-31(21)2;1-23-12-17-13-26(9-10-27(17)22(28)32-14-16-6-4-3-5-7-16)20-18-15-31-11-8-19(18)24-21(25-20)33(2,29)30;1-23-12-17-13-26(20-18-15-29-11-8-19(18)24-21(25-20)31-2)9-10-27(17)22(28)30-14-16-6-4-3-5-7-16;1-15-9-13-10-16-7-8-17(13)14(18)19-11-12-5-3-2-4-6-12;1-19-8-13-6-2-3-17-4-5(6)7(14-8)18-20(15,16)9(10,11)12;1-13-8-9-6-2-3-12-4-5(6)7(11)10-8;1-2-12-8(10)6-5-11-4-3-7(6)9;1-7-4-2-3-6(7)5-8;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;1-5-2(3)4;;;/h3-5,7-8,21-22H,6,9-19H2,2H3;3-7,17H,8-15H2,2H3;3-7,17H,8-15H2,2H3;2-6,13,16H,7-11H2;2-4H2,1H3;2-4H2,1H3,(H,9,10,11);6H,2-5H2,1H3;6,8H,2-5H2,1H3;;1H3,(H3,3,4);1H3;1H;/q;;;;;;;;;;-1;;/t21-,22-;2*17-;13-;;;;6-;;;;;/m0000...0...../s1
• InChIKey: UGCLIMWZLQKGCO-HNEZVDQESA-N
• XLogP: 13.11
• TPSA: 645.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 50
• Rotatable Bonds: 29
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3023.11
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?

The IUPAC name of benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride (CID 167536175) is benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride.

What is the SMILES notation for benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?

The canonical SMILES for benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride is CCOC(=O)C1COCCC1=O.CN1CCC[C@H]1CO.CSc1nc2c(c(=O)[nH]1)COCC2.CSc1nc2c(c(OS(=O)(=O)C(F)(F)F)n1)COCC2.Cl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2COCC3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(S(C)(=O)=O)nc3c2COCC3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(SC)nc3c2COCC3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CNCCN1C(=O)OCc1ccccc1.[CH3-].[H]/N=C(/N)SC.[Pd].

What is the InChIKey of benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?

The InChIKey is UGCLIMWZLQKGCO-HNEZVDQESA-N. The full InChI is InChI=1S/C27H34N6O4.C22H25N5O5S.C22H25N5O3S.C14H17N3O2.C9H9F3N2O4S2.C8H10N2O2S.C8H12O4.C6H13NO.C2F6O5S2.C2H6N2S.CH3.ClH.Pd/c1-28-15-22-16-32(12-13-33(22)27(34)37-17-20-7-4-3-5-8-20)25-23-19-35-14-10-24(23)29-26(30-25)36-18-21-9-6-11-31(21)2;1-23-12-17-13-26(9-10-27(17)22(28)32-14-16-6-4-3-5-7-16)20-18-15-31-11-8-19(18)24-21(25-20)33(2,29)30;1-23-12-17-13-26(20-18-15-29-11-8-19(18)24-21(25-20)31-2)9-10-27(17)22(28)30-14-16-6-4-3-5-7-16;1-15-9-13-10-16-7-8-17(13)14(18)19-11-12-5-3-2-4-6-12;1-19-8-13-6-2-3-17-4-5(6)7(14-8)18-20(15,16)9(10,11)12;1-13-8-9-6-2-3-12-4-5(6)7(11)10-8;1-2-12-8(10)6-5-11-4-3-7(6)9;1-7-4-2-3-6(7)5-8;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;1-5-2(3)4;;;/h3-5,7-8,21-22H,6,9-19H2,2H3;3-7,17H,8-15H2,2H3;3-7,17H,8-15H2,2H3;2-6,13,16H,7-11H2;2-4H2,1H3;2-4H2,1H3,(H,9,10,11);6H,2-5H2,1H3;6,8H,2-5H2,1H3;;1H3,(H3,3,4);1H3;1H;/q;;;;;;;;;;-1;;/t21-,22-;2*17-;13-;;;;6-;;;;;/m0000...0...../s1.

What are the key properties of benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?

benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride has a molecular weight of 3023.11 g/mol, XLogP of 13.11, 29 rotatable bonds, 5 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-(2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)piperazine-1-carboxylate;carbanide;ethyl 4-oxooxane-3-carboxylate;methyl carbamimidothioate;[(2S)-1-methylpyrrolidin-2-yl]methanol;(2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl) trifluoromethanesulfonate;2-methylsulfanyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;palladium;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride is sourced from PubChem (CID 167536175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).