General Information of the Compound
| Compound ID |
CP0013921
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-6-yl)phenoxy)propan-2-ol
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| Structure |
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| Formula |
C33H33N3O3
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| Molecular Weight |
519.645
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| Canonical SMILES |
COc1ccc(Cn2cnc3ccc(cc23)-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1
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| InChI |
InChI=1S/C33H33N3O3/c1-38-30-12-9-24(10-13-30)19-36-23-34-32-14-11-27(18-33(32)36)26-7-4-8-31(17-26)39-22-29(37)21-35-16-15-25-5-2-3-6-28(25)20-35/h2-14,17-18,23,29,37H,15-16,19-22H2,1H3
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| InChIKey |
UWSWGCSOAZWODN-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