General Information of the Compound
| Compound ID |
CP0547107
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| Compound Name |
benzimidazolone scaffold, 8a
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| Structure |
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| Formula |
C25H26N4O
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| Molecular Weight |
398.51
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| Canonical SMILES |
O=c1n(CCN2CCN(CC2)c2ccccc2)c2ccccc2n1-c1ccccc1
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| InChI |
InChI=1S/C25H26N4O/c30-25-28(20-17-26-15-18-27(19-16-26)21-9-3-1-4-10-21)23-13-7-8-14-24(23)29(25)22-11-5-2-6-12-22/h1-14H,15-20H2
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| InChIKey |
LXEDNZVXCRMCHZ-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