General Information of the Compound
| Compound ID |
CP0012848
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| Compound Name |
1-(3-(1-benzyl-1H-benzo[d]imidazol-6-yl)phenoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
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| Structure |
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| Formula |
C32H31N3O2
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| Molecular Weight |
489.619
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccc2ncn(Cc3ccccc3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C32H31N3O2/c36-29(21-34-16-15-25-9-4-5-10-28(25)20-34)22-37-30-12-6-11-26(17-30)27-13-14-31-32(18-27)35(23-33-31)19-24-7-2-1-3-8-24/h1-14,17-18,23,29,36H,15-16,19-22H2
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| InChIKey |
QRPLRPXUJNDKKA-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