General Information of the Compound
| Compound ID |
CP0421583
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| Compound Name |
2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide
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| Structure |
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| Formula |
C21H20N6O3
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| Molecular Weight |
404.43
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| Canonical SMILES |
COc1cccc(CNc2nc(NC(=O)c3ccccc3OC)nc3[nH]cnc23)c1
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| InChI |
InChI=1S/C21H20N6O3/c1-29-14-7-5-6-13(10-14)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-8-3-4-9-16(15)30-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28)
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| InChIKey |
ZKXJPIDKKJQYDW-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