General Information of the Compound
| Compound ID |
CP0576708
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| Compound Name |
3-isoquinolin-8-yloxy-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide
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| Structure |
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| Formula |
C32H32N6O2
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| Molecular Weight |
532.648
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| Canonical SMILES |
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Oc3cccc4ccncc34)c2)cc(c1)-n1cnc(C)c1
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| InChI |
InChI=1S/C32H32N6O2/c1-22-7-8-25(15-31(22)40-30-6-4-5-24-9-10-33-19-29(24)30)32(39)35-26-16-27(37-13-11-36(3)12-14-37)18-28(17-26)38-20-23(2)34-21-38/h4-10,15-21H,11-14H2,1-3H3,(H,35,39)
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| InChIKey |
AFTCBZMZKYOMRS-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