Question 1

What is the IUPAC name of 6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde)?

Accepted Answer

The IUPAC name of 6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde) (CID 162193046) is 6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde).

Question 2

What is the SMILES notation for 6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde)?

Accepted Answer

The canonical SMILES for 6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde) is Brc1ccc2c(c1)CC=C2.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)CC=C3)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc3ccn(Cc4ccc(Cl)cc4F)c3c2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc3ccn(Cc4ccc(Cl)cc4F)c3c2)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CCC(c4ccc5ccn(Cc6ccc(Cl)cc6F)c5c4)CC3)n(C[C@@H]3CCO3)c2c1.CCO.Fc1cc(Cl)ccc1CBr.Fc1cc(Cl)ccc1Cn1ccc2ccc(C3CCNCC3)cc21.O=C(O)c1ccc2nc(CN3CCC(c4ccc5ccn(Cc6ccc(Cl)cc6F)c5c4)CC3)n(C[C@@H]3CCO3)c2c1.O=CC(F)(F)F.O=CC(F)(F)F.O=[Pt]=O.

Question 3

What is the InChIKey of 6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde)?

Accepted Answer

The InChIKey is GAJYKQMWSDXCQW-FLNNPXGGSA-N. The full InChI is InChI=1S/C37H40ClFN4O3.C33H32ClFN4O3.C25H28ClFN2O2.C25H26ClFN2O2.C20H20ClFN2.C19H23NO2.C17H21ClN2O3.C16H28BNO4.C9H7Br.C7H5BrClF.2C2HF3O.C2H6O.2CH4.2O.Pt/c1-37(2,3)46-36(44)27-7-9-32-34(19-27)43(22-30-13-17-45-30)35(40-32)23-41-14-10-24(11-15-41)26-5-4-25-12-16-42(33(25)18-26)21-28-6-8-29(38)20-31(28)39;34-26-5-3-25(28(35)17-26)18-38-13-9-22-1-2-23(15-30(22)38)21-7-11-37(12-8-21)20-32-36-29-6-4-24(33(40)41)16-31(29)39(32)19-27-10-14-42-27;2*1-25(2,3)31-24(30)28-11-8-17(9-12-28)19-5-4-18-10-13-29(23(18)14-19)16-20-6-7-21(26)15-22(20)27;21-18-4-3-17(19(22)12-18)13-24-10-7-15-1-2-16(11-20(15)24)14-5-8-23-9-6-14;1-19(2,3)22-18(21)20-11-9-15(10-12-20)17-8-7-14-5-4-6-16(14)13-17;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;10-9-5-4-7-2-1-3-8(7)6-9;8-4-5-1-2-6(9)3-7(5)10;2*3-2(4,5)1-6;1-2-3;;;;;/h4-9,12,16,18-20,24,30H,10-11,13-15,17,21-23H2,1-3H3;1-6,9,13,15-17,21,27H,7-8,10-12,14,18-20H2,(H,40,41);4-7,10,13-15,17H,8-9,11-12,16H2,1-3H3;4-8,10,13-15H,9,11-12,16H2,1-3H3;1-4,7,10-12,14,23H,5-6,8-9,13H2;4-5,7-9,13H,6,10-12H2,1-3H3;4-5,8,12H,6-7,9-10H2,1-3H3;8H,9-11H2,1-7H3;1-2,4-6H,3H2;1-3H,4H2;2*1H;3H,2H2,1H3;2*1H4;;;/t30-;27-;;;;;12-;;;;;;;;;;;/m00....0.........../s1.

Question 4

What are the key properties of 6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde)?

Accepted Answer

6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde) has a molecular weight of 4320.29 g/mol, XLogP of 52.61, 32 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for 6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde) is sourced from PubChem (CID 162193046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde)
PubChem CID	162193046
Molecular Formula	C216H246BBr2Cl7F12N18O24Pt
Molecular Weight	4320.29 g/mol
Exact Mass	4312.43
IUPAC Name	6-bromo-1H-indene;1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(3H-inden-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]indol-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-6-piperidin-4-ylindole;dioxoplatinum;ethanol;methane;bis(2,2,2-trifluoroacetaldehyde)
SMILES	Brc1ccc2c(c1)CC=C2.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)CC=C3)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc3ccn(Cc4ccc(Cl)cc4F)c3c2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc3ccn(Cc4ccc(Cl)cc4F)c3c2)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CCC(c4ccc5ccn(Cc6ccc(Cl)cc6F)c5c4)CC3)n(C[C@@H]3CCO3)c2c1.CCO.Fc1cc(Cl)ccc1CBr.Fc1cc(Cl)ccc1Cn1ccc2ccc(C3CCNCC3)cc21.O=C(O)c1ccc2nc(CN3CCC(c4ccc5ccn(Cc6ccc(Cl)cc6F)c5c4)CC3)n(C[C@@H]3CCO3)c2c1.O=CC(F)(F)F.O=CC(F)(F)F.O=[Pt]=O
InChI	InChI=1S/C37H40ClFN4O3.C33H32ClFN4O3.C25H28ClFN2O2.C25H26ClFN2O2.C20H20ClFN2.C19H23NO2.C17H21ClN2O3.C16H28BNO4.C9H7Br.C7H5BrClF.2C2HF3O.C2H6O.2CH4.2O.Pt/c1-37(2,3)46-36(44)27-7-9-32-34(19-27)43(22-30-13-17-45-30)35(40-32)23-41-14-10-24(11-15-41)26-5-4-25-12-16-42(33(25)18-26)21-28-6-8-29(38)20-31(28)39;34-26-5-3-25(28(35)17-26)18-38-13-9-22-1-2-23(15-30(22)38)21-7-11-37(12-8-21)20-32-36-29-6-4-24(33(40)41)16-31(29)39(32)19-27-10-14-42-27;21-25(2,3)31-24(30)28-11-8-17(9-12-28)19-5-4-18-10-13-29(23(18)14-19)16-20-6-7-21(26)15-22(20)27;21-18-4-3-17(19(22)12-18)13-24-10-7-15-1-2-16(11-20(15)24)14-5-8-23-9-6-14;1-19(2,3)22-18(21)20-11-9-15(10-12-20)17-8-7-14-5-4-6-16(14)13-17;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;10-9-5-4-7-2-1-3-8(7)6-9;8-4-5-1-2-6(9)3-7(5)10;23-2(4,5)1-6;1-2-3;;;;;/h4-9,12,16,18-20,24,30H,10-11,13-15,17,21-23H2,1-3H3;1-6,9,13,15-17,21,27H,7-8,10-12,14,18-20H2,(H,40,41);4-7,10,13-15,17H,8-9,11-12,16H2,1-3H3;4-8,10,13-15H,9,11-12,16H2,1-3H3;1-4,7,10-12,14,23H,5-6,8-9,13H2;4-5,7-9,13H,6,10-12H2,1-3H3;4-5,8,12H,6-7,9-10H2,1-3H3;8H,9-11H2,1-7H3;1-2,4-6H,3H2;1-3H,4H2;21H;3H,2H2,1H3;21H4;;;/t30-;27-;;;;;12-;;;;;;;;;;;/m00....0.........../s1
InChIKey	GAJYKQMWSDXCQW-FLNNPXGGSA-N
XLogP	52.61
TPSA	439.34 Å²
H-Bond Donors	3
H-Bond Acceptors	37
Rotatable Bonds	32
Heavy Atoms	281
Complexity	—

Rule	Value
MW ≤ 500	4320.29
LogP ≤ 5	52.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Molecular Properties

Lipinski Rule of Five

Related Compounds

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