General Information of the Compound
| Compound ID |
CP0634391
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| Compound Name |
N-(5-Methyl-pyrazin-2-ylmethyl)-3-(5-methyl-pyridin-2-yl)-5-(8-oxo-7,8-dihydro-purin-9-yl)-benzamide
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| Structure |
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| Formula |
C24H20N8O2
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| Molecular Weight |
452.478
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| Canonical SMILES |
Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(-n3c(=O)[nH]c4cncnc43)c2)nc1
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| InChI |
InChI=1S/C24H20N8O2/c1-14-3-4-20(28-8-14)16-5-17(23(33)29-11-18-10-26-15(2)9-27-18)7-19(6-16)32-22-21(31-24(32)34)12-25-13-30-22/h3-10,12-13H,11H2,1-2H3,(H,29,33)(H,31,34)
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| InChIKey |
LBHYSUNETNFKQT-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