General Information of the Compound
| Compound ID |
CP0545186
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| Compound Name |
benzyl 7-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C22H27N3O2/c1-23-11-13-24(14-12-23)21-8-7-19-9-10-25(16-20(19)15-21)22(26)27-17-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3
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| InChIKey |
QAGWEHWRYBCHRQ-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