General Information of the Compound
| Compound ID |
CP0848464
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| Compound Name |
1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-o-tolylpiperazin-2-one
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| Structure |
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| Formula |
C23H29N3O2
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| Molecular Weight |
379.504
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC(O)CN2CCc3ccccc3C2)C(=O)C1
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| InChI |
InChI=1S/C23H29N3O2/c1-18-6-2-5-9-22(18)25-12-13-26(23(28)17-25)16-21(27)15-24-11-10-19-7-3-4-8-20(19)14-24/h2-9,21,27H,10-17H2,1H3
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| InChIKey |
TYEGFULLXHVKBI-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