(6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C131H148BBr2F3N20O20S — CID 158180176

IUPAC(6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N1CCCC1c1nc2ccc(-c3ccc4cc(-c5ccc6nc(C7CCCC7)[nH]c6c5)ccc4n3)cc2[nH]1.CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1.COC(=O)C[C@H](C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4nc(-c5ccc6nc([C@@H]7CCCN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c6c5)ccc4c3)cc2[nH]1)C(C)C.O=S(=O)(OC1C=Cc2cc(Br)ccc2N1)C(F)(F)F.O=c1ccc2cc(Br)ccc2[nH]1
InChIInChI=1S/C45H51N9O6.C37H38N6O2.C22H32BN3O4.C10H7BrF3NO3S.C9H6BrNO.C8H14O4/c1-24(2)38(51-44(57)59-5)42(55)53-19-7-9-36(53)40-47-32-17-12-27(22-34(32)49-40)26-11-15-30-28(21-26)13-16-31(46-30)29-14-18-33-35(23-29)50-41(48-33)37-10-8-20-54(37)43(56)39(25(3)4)52-45(58)60-6;1-37(2,3)45-36(44)43-18-6-9-33(43)35-40-30-17-13-26(21-32(30)42-35)28-15-12-25-19-23(10-14-27(25)38-28)24-11-16-29-31(20-24)41-34(39-29)22-7-4-5-8-22;1-20(2,3)28-19(27)26-12-8-9-17(26)18-24-15-11-10-14(13-16(15)25-18)23-29-21(4,5)22(6,7)30-23;11-7-2-3-8-6(5-7)1-4-9(15-8)18-19(16,17)10(12,13)14;10-7-2-3-8-6(5-7)1-4-9(12)11-8;1-5(2)6(8(10)11)4-7(9)12-3/h11-18,21-25,36-39H,7-10,19-20H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58);10-17,19-22,33H,4-9,18H2,1-3H3,(H,39,41)(H,40,42);10-11,13,17H,8-9,12H2,1-7H3,(H,24,25);1-5,9,15H;1-5H,(H,11,12);5-6H,4H2,1-3H3,(H,10,11)/t36-,37-,38-,39-;;;;;6-/m0....0/s1
InChIKeyFYMJIMYZLAURDF-AKARDPLGSA-N
MW2582.43 g/mol
LogP26.67
Rot. Bonds22

About (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

(6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 158180176) has the molecular formula C131H148BBr2F3N20O20S and a molecular weight of 2582.43 g/mol. Its IUPAC name is (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name(6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID158180176
Molecular FormulaC131H148BBr2F3N20O20S
Molecular Weight2582.43 g/mol
Exact Mass2578.93
IUPAC Name(6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N1CCCC1c1nc2ccc(-c3ccc4cc(-c5ccc6nc(C7CCCC7)[nH]c6c5)ccc4n3)cc2[nH]1.CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1.COC(=O)C[C@H](C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4nc(-c5ccc6nc([C@@H]7CCCN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c6c5)ccc4c3)cc2[nH]1)C(C)C.O=S(=O)(OC1C=Cc2cc(Br)ccc2N1)C(F)(F)F.O=c1ccc2cc(Br)ccc2[nH]1
InChIInChI=1S/C45H51N9O6.C37H38N6O2.C22H32BN3O4.C10H7BrF3NO3S.C9H6BrNO.C8H14O4/c1-24(2)38(51-44(57)59-5)42(55)53-19-7-9-36(53)40-47-32-17-12-27(22-34(32)49-40)26-11-15-30-28(21-26)13-16-31(46-30)29-14-18-33-35(23-29)50-41(48-33)37-10-8-20-54(37)43(56)39(25(3)4)52-45(58)60-6;1-37(2,3)45-36(44)43-18-6-9-33(43)35-40-30-17-13-26(21-32(30)42-35)28-15-12-25-19-23(10-14-27(25)38-28)24-11-16-29-31(20-24)41-34(39-29)22-7-4-5-8-22;1-20(2,3)28-19(27)26-12-8-9-17(26)18-24-15-11-10-14(13-16(15)25-18)23-29-21(4,5)22(6,7)30-23;11-7-2-3-8-6(5-7)1-4-9(15-8)18-19(16,17)10(12,13)14;10-7-2-3-8-6(5-7)1-4-9(12)11-8;1-5(2)6(8(10)11)4-7(9)12-3/h11-18,21-25,36-39H,7-10,19-20H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58);10-17,19-22,33H,4-9,18H2,1-3H3,(H,39,41)(H,40,42);10-11,13,17H,8-9,12H2,1-7H3,(H,24,25);1-5,9,15H;1-5H,(H,11,12);5-6H,4H2,1-3H3,(H,10,11)/t36-,37-,38-,39-;;;;;6-/m0....0/s1
InChIKeyFYMJIMYZLAURDF-AKARDPLGSA-N
XLogP26.67
TPSA515.86 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002582.43
LogP ≤ 526.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 158180176) is (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(-c3ccc4cc(-c5ccc6nc(C7CCCC7)[nH]c6c5)ccc4n3)cc2[nH]1.CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1.COC(=O)C[C@H](C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4nc(-c5ccc6nc([C@@H]7CCCN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c6c5)ccc4c3)cc2[nH]1)C(C)C.O=S(=O)(OC1C=Cc2cc(Br)ccc2N1)C(F)(F)F.O=c1ccc2cc(Br)ccc2[nH]1.
What is the InChIKey of (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is FYMJIMYZLAURDF-AKARDPLGSA-N. The full InChI is InChI=1S/C45H51N9O6.C37H38N6O2.C22H32BN3O4.C10H7BrF3NO3S.C9H6BrNO.C8H14O4/c1-24(2)38(51-44(57)59-5)42(55)53-19-7-9-36(53)40-47-32-17-12-27(22-34(32)49-40)26-11-15-30-28(21-26)13-16-31(46-30)29-14-18-33-35(23-29)50-41(48-33)37-10-8-20-54(37)43(56)39(25(3)4)52-45(58)60-6;1-37(2,3)45-36(44)43-18-6-9-33(43)35-40-30-17-13-26(21-32(30)42-35)28-15-12-25-19-23(10-14-27(25)38-28)24-11-16-29-31(20-24)41-34(39-29)22-7-4-5-8-22;1-20(2,3)28-19(27)26-12-8-9-17(26)18-24-15-11-10-14(13-16(15)25-18)23-29-21(4,5)22(6,7)30-23;11-7-2-3-8-6(5-7)1-4-9(15-8)18-19(16,17)10(12,13)14;10-7-2-3-8-6(5-7)1-4-9(12)11-8;1-5(2)6(8(10)11)4-7(9)12-3/h11-18,21-25,36-39H,7-10,19-20H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58);10-17,19-22,33H,4-9,18H2,1-3H3,(H,39,41)(H,40,42);10-11,13,17H,8-9,12H2,1-7H3,(H,24,25);1-5,9,15H;1-5H,(H,11,12);5-6H,4H2,1-3H3,(H,10,11)/t36-,37-,38-,39-;;;;;6-/m0....0/s1.
What are the key properties of (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
(6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 2582.43 g/mol, XLogP of 26.67, 22 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,2-dihydroquinolin-2-yl) trifluoromethanesulfonate;6-bromo-1H-quinolin-2-one;tert-butyl 2-[6-[6-(2-cyclopentyl-3H-benzimidazol-5-yl)quinolin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 158180176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).