General Information of the Compound
| Compound ID |
CP0047221
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| Compound Name |
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(4-ethylpiperazin-1-yl)isoquinolin-1-amine
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| Structure |
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| Formula |
C28H34N6O2
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| Molecular Weight |
486.62
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)nccc2c1
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| InChI |
InChI=1S/C28H34N6O2/c1-4-33-11-13-34(14-12-33)23-7-8-26-21(17-23)9-10-29-28(26)30-27-18-22(31-32-27)6-5-20-15-24(35-2)19-25(16-20)36-3/h7-10,15-19H,4-6,11-14H2,1-3H3,(H2,29,30,31,32)
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| InChIKey |
YQMWEDIEMJNMPV-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