General Information of the Compound
| Compound ID |
CP0440754
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| Compound Name |
benzimidazolone scaffold, 15e
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| Structure |
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| Formula |
C21H26N4O
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| Molecular Weight |
350.466
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| Canonical SMILES |
O=c1[nH]c2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H26N4O/c26-21-22-19-10-4-5-11-20(19)25(21)13-7-6-12-23-14-16-24(17-15-23)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2,(H,22,26)
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| InChIKey |
RBFHCAHIEQNMRT-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