General Information of the Compound
| Compound ID |
CP0440827
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| Compound Name |
benzimidazolone scaffold, 15j
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| Structure |
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| Formula |
C24H32N4O2
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| Molecular Weight |
408.546
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCCn2c3ccccc3[nH]c2=O)CC1
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| InChI |
InChI=1S/C24H32N4O2/c1-30-23-13-7-6-12-22(23)27-18-16-26(17-19-27)14-8-2-3-9-15-28-21-11-5-4-10-20(21)25-24(28)29/h4-7,10-13H,2-3,8-9,14-19H2,1H3,(H,25,29)
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| InChIKey |
QVEWUFRBKNHSKU-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