General Information of the Compound
| Compound ID |
CP0424969
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| Compound Name |
benzimidazolone scaffold, 8d
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| Structure |
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| Formula |
C26H28N4O2
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| Molecular Weight |
428.536
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| Canonical SMILES |
COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
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| InChI |
InChI=1S/C26H28N4O2/c1-32-23-13-11-22(12-14-23)30-25-10-6-5-9-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)21-7-3-2-4-8-21/h2-14H,15-20H2,1H3
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| InChIKey |
CMQRRXFYEQIMCT-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