1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol

C167H191N19O24S2 — CID 158108803

IUPAC1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
SMILESCN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1Cc2ccccc2C1.CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@H](O)CN1Cc2ccccc2C1.CN1CCOc2cccc(OCC(=O)CC[C@@H](O)CN3Cc4ccccc4C3)c21.COc1ccc(Cn2cnc3ccc(-c4ccc(OCC(O)CN5Cc6ccccc6C5)cc4)cc32)cc1.Cn1cnc2ccc(-c3cccc(OC[C@H](O)CN4Cc5ccccc5C4)c3)cc21.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C1.OC(COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1
InChIInChI=1S/C32H31N3O3.C25H25N3O2.C23H28N2O4.C23H30N2O2.C22H23N3O3.2C21H27N3O5S/c1-37-29-11-6-23(7-12-29)17-35-22-33-31-15-10-25(16-32(31)35)24-8-13-30(14-9-24)38-21-28(36)20-34-18-26-4-2-3-5-27(26)19-34;1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28;1-24-11-12-28-21-7-4-8-22(23(21)24)29-16-20(27)10-9-19(26)15-25-13-17-5-2-3-6-18(17)14-25;26-22(16-25-14-19-7-1-2-8-20(19)15-25)17-27-23-11-5-6-18(12-23)13-24-21-9-3-4-10-21;26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20;2*1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h2-16,22,28,36H,17-21H2,1H3;2-12,17,22,29H,13-16H2,1H3;2-8,19,26H,9-16H2,1H3;1-2,5-8,11-12,21-22,24,26H,3-4,9-10,13-17H2;1-10,19,26H,11-15H2,(H,24,27);2*3-10,18,25H,11-15H2,1-2H3,(H,22,26)/t;22-;19-;;;2*18-/m.11..10/s1
InChIKeyFQDZBXSVVFIKEN-FQAHBMDNSA-N
MW2912.61 g/mol
LogP19.33
Rot. Bonds56

About 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol

1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol (PubChem CID 158108803) has the molecular formula C167H191N19O24S2 and a molecular weight of 2912.61 g/mol. Its IUPAC name is 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
PubChem CID158108803
Molecular FormulaC167H191N19O24S2
Molecular Weight2912.61 g/mol
Exact Mass2910.38
IUPAC Name1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
SMILESCN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1Cc2ccccc2C1.CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@H](O)CN1Cc2ccccc2C1.CN1CCOc2cccc(OCC(=O)CC[C@@H](O)CN3Cc4ccccc4C3)c21.COc1ccc(Cn2cnc3ccc(-c4ccc(OCC(O)CN5Cc6ccccc6C5)cc4)cc32)cc1.Cn1cnc2ccc(-c3cccc(OC[C@H](O)CN4Cc5ccccc5C4)c3)cc21.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C1.OC(COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1
InChIInChI=1S/C32H31N3O3.C25H25N3O2.C23H28N2O4.C23H30N2O2.C22H23N3O3.2C21H27N3O5S/c1-37-29-11-6-23(7-12-29)17-35-22-33-31-15-10-25(16-32(31)35)24-8-13-30(14-9-24)38-21-28(36)20-34-18-26-4-2-3-5-27(26)19-34;1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28;1-24-11-12-28-21-7-4-8-22(23(21)24)29-16-20(27)10-9-19(26)15-25-13-17-5-2-3-6-18(17)14-25;26-22(16-25-14-19-7-1-2-8-20(19)15-25)17-27-23-11-5-6-18(12-23)13-24-21-9-3-4-10-21;26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20;2*1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h2-16,22,28,36H,17-21H2,1H3;2-12,17,22,29H,13-16H2,1H3;2-8,19,26H,9-16H2,1H3;1-2,5-8,11-12,21-22,24,26H,3-4,9-10,13-17H2;1-10,19,26H,11-15H2,(H,24,27);2*3-10,18,25H,11-15H2,1-2H3,(H,22,26)/t;22-;19-;;;2*18-/m.11..10/s1
InChIKeyFQDZBXSVVFIKEN-FQAHBMDNSA-N
XLogP19.33
TPSA490.29 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds56
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002912.61
LogP ≤ 519.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Analyze 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 159479862
N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(3-pyridin-2-ylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 159534710
CID 160490720
CID 160490720
1-[3-(2-cyclopentylethyl)phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 161796985
tert-butyl N-[3-[5-(1,3-dihydroisoindol-2-yl)-4-hydroxypentanoyl]phenyl]carbamate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;5-(1,3-dihydroisoindol-2-yl)-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-1-one;1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 161839549
CID 161958012
CID 161958012

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol (CID 158108803) is 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol is CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1Cc2ccccc2C1.CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@H](O)CN1Cc2ccccc2C1.CN1CCOc2cccc(OCC(=O)CC[C@@H](O)CN3Cc4ccccc4C3)c21.COc1ccc(Cn2cnc3ccc(-c4ccc(OCC(O)CN5Cc6ccccc6C5)cc4)cc32)cc1.Cn1cnc2ccc(-c3cccc(OC[C@H](O)CN4Cc5ccccc5C4)c3)cc21.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C1.OC(COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1.
What is the InChIKey of 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
The InChIKey is FQDZBXSVVFIKEN-FQAHBMDNSA-N. The full InChI is InChI=1S/C32H31N3O3.C25H25N3O2.C23H28N2O4.C23H30N2O2.C22H23N3O3.2C21H27N3O5S/c1-37-29-11-6-23(7-12-29)17-35-22-33-31-15-10-25(16-32(31)35)24-8-13-30(14-9-24)38-21-28(36)20-34-18-26-4-2-3-5-27(26)19-34;1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28;1-24-11-12-28-21-7-4-8-22(23(21)24)29-16-20(27)10-9-19(26)15-25-13-17-5-2-3-6-18(17)14-25;26-22(16-25-14-19-7-1-2-8-20(19)15-25)17-27-23-11-5-6-18(12-23)13-24-21-9-3-4-10-21;26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20;2*1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h2-16,22,28,36H,17-21H2,1H3;2-12,17,22,29H,13-16H2,1H3;2-8,19,26H,9-16H2,1H3;1-2,5-8,11-12,21-22,24,26H,3-4,9-10,13-17H2;1-10,19,26H,11-15H2,(H,24,27);2*3-10,18,25H,11-15H2,1-2H3,(H,22,26)/t;22-;19-;;;2*18-/m.11..10/s1.
What are the key properties of 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol has a molecular weight of 2912.61 g/mol, XLogP of 19.33, 56 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;(5R)-6-(1,3-dihydroisoindol-2-yl)-5-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)oxy]hexan-2-one;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 158108803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).