General Information of the Compound
| Compound ID |
CP0003281
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-(tetrahydro-2H-pyran-4-yl)-1H-benzo[d]imidazol-6-yl)phenoxy)propan-2-ol
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| Structure |
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| Formula |
C30H33N3O3
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| Molecular Weight |
483.612
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccc2ncn(C3CCOCC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C30H33N3O3/c34-27(19-32-13-10-22-4-1-2-5-25(22)18-32)20-36-28-7-3-6-23(16-28)24-8-9-29-30(17-24)33(21-31-29)26-11-14-35-15-12-26/h1-9,16-17,21,26-27,34H,10-15,18-20H2
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| InChIKey |
RKHWHWINOLDREA-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