General Information of the Compound
| Compound ID |
CP0168639
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| Compound Name |
N-[6-[(4-chlorophenyl)methylamino]-7H-purin-2-yl]benzamide
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| Structure |
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| Formula |
C19H15ClN6O
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| Molecular Weight |
378.823
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| Canonical SMILES |
Clc1ccc(CNc2nc(NC(=O)c3ccccc3)nc3[nH]cnc23)cc1
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| InChI |
InChI=1S/C19H15ClN6O/c20-14-8-6-12(7-9-14)10-21-16-15-17(23-11-22-15)25-19(24-16)26-18(27)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,21,22,23,24,25,26,27)
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| InChIKey |
AWCUPFZRRVAXMM-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