General Information of the Compound
| Compound ID |
CP0526019
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| Compound Name |
N-(2H-1,3-benzodioxol-5-ylmethyl)-4-(2,6-dimethoxypyridin-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C29H27N5O5
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| Molecular Weight |
525.565
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| Canonical SMILES |
COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H27N5O5/c1-36-25-10-8-21(27(32-25)37-2)26-22(28(35)34-12-11-19-5-3-4-6-20(19)16-34)15-31-29(33-26)30-14-18-7-9-23-24(13-18)39-17-38-23/h3-10,13,15H,11-12,14,16-17H2,1-2H3,(H,30,31,33)
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| InChIKey |
OZXGGGXGTIWICH-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