General Information of the Compound
| Compound ID |
CP0634822
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| Compound Name |
1-(3-(1H-indazol-5-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(-c2ccc3[nH]ncc3c2)c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H25N3O2/c29-23(16-28-11-10-18-4-1-2-5-21(18)15-28)17-30-24-7-3-6-19(13-24)20-8-9-25-22(12-20)14-26-27-25/h1-9,12-14,23,29H,10-11,15-17H2,(H,26,27)
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| InChIKey |
VEXLUJFDKVPWTG-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