General Information of the Compound
| Compound ID |
CP0637409
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| Compound Name |
1-(3-(1H-benzo[d]imidazol-4-yl)phenoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
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| Structure |
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| Formula |
C25H25N3O2
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| Molecular Weight |
399.494
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| Canonical SMILES |
OC(COc1cccc(-c2cccc3[nH]cnc23)c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H25N3O2/c29-21(15-28-12-11-18-5-1-2-6-20(18)14-28)16-30-22-8-3-7-19(13-22)23-9-4-10-24-25(23)27-17-26-24/h1-10,13,17,21,29H,11-12,14-16H2,(H,26,27)
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| InChIKey |
KRYNVEJDIKJPAT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound