General Information of the Compound
| Compound ID |
CP0499748
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| Compound Name |
3-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)isoquinoline
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| Structure |
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| Formula |
C25H20N4O
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| Molecular Weight |
392.462
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| Canonical SMILES |
Cn1cc(c(n1)-c1ccc(OCc2cc3ccccc3cn2)cc1)-c1ccncc1
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| InChI |
InChI=1S/C25H20N4O/c1-29-16-24(18-10-12-26-13-11-18)25(28-29)19-6-8-23(9-7-19)30-17-22-14-20-4-2-3-5-21(20)15-27-22/h2-16H,17H2,1H3
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| InChIKey |
XSGPLYCLJZZSPV-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