General Information of the Compound
| Compound ID |
CP0528270
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| Compound Name |
N-[6-[(3-methylphenyl)methylamino]-7H-purin-2-yl]benzamide
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| Structure |
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| Formula |
C20H18N6O
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| Molecular Weight |
358.405
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| Canonical SMILES |
Cc1cccc(CNc2nc(NC(=O)c3ccccc3)nc3[nH]cnc23)c1
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| InChI |
InChI=1S/C20H18N6O/c1-13-6-5-7-14(10-13)11-21-17-16-18(23-12-22-16)25-20(24-17)26-19(27)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H3,21,22,23,24,25,26,27)
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| InChIKey |
LDMQWVAFTXZBQV-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